data_2dam_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 2dam _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 ' 15' ' ' THR . . . . . . . . . . . . . 16.9 p . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 110.373 -0.232 . . . . 0.0 110.373 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -43.72 -61.42 1.42 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.562 1.164 . . . . 0.0 110.335 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 19.7 tt0 -43.73 -64.34 0.68 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.521 1.138 . . . . 0.0 110.265 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.483 ' NE2' ' CE2' ' A' ' 46' ' ' TRP . 69.0 mt-30 -47.96 -60.12 2.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.145 . . . . 0.0 110.329 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 7.7 m -39.67 -58.97 1.22 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 110.451 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -47.38 -55.63 8.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 110.285 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 16.0 mttp -44.77 -48.43 10.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.296 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.468 HD23 ' CD1' ' A' ' 41' ' ' LEU . 1.8 mt -51.49 -59.34 4.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 109.311 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.402 ' N ' HD22 ' A' ' 23' ' ' LEU . 5.0 mt -40.56 -52.9 2.8 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 0.0 109.279 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.93 -68.02 0.2 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 110.309 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.541 ' CE1' ' HB2' ' A' ' 51' ' ' ALA . 51.3 t80 -44.97 -57.33 3.88 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 111.033 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.431 ' O ' ' N ' ' A' ' 30' ' ' GLY . 1.1 tt0 -42.81 -58.54 2.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.105 . . . . 0.0 110.298 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -55.85 -55.13 36.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.132 . . . . 0.0 109.309 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 3.1 mt -50.28 -69.15 0.12 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 109.242 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.496 HG23 ' CZ ' ' A' ' 25' ' ' PHE . 29.5 p -53.61 -71.36 0.07 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 110.41 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.431 ' N ' ' O ' ' A' ' 26' ' ' GLN . . . 115.36 13.87 8.66 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.517 1.136 . . . . 0.0 110.981 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 12.5 mt -70.1 149.32 10.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.507 0.769 . . . . 0.0 109.328 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 15.6 tt0 -92.3 -57.9 2.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 110.306 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.8 m -60.22 100.07 0.09 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.541 1.151 . . . . 0.0 110.012 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -44.26 -48.44 9.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 0.0 110.996 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -48.21 -53.32 17.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 109.331 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 9.8 mm100 -47.67 -43.49 26.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 0.0 110.282 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.465 ' HB3' ' CD2' ' A' ' 22' ' ' LEU . 1.3 m -60.72 -73.58 0.09 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 108.305 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.505 ' HG3' ' CZ2' ' A' ' 46' ' ' TRP . 4.9 ttp180 -40.52 -34.72 0.38 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.455 1.097 . . . . 0.0 110.284 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 8.9 t-160 -53.95 -70.4 0.1 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.134 . . . . 0.0 109.594 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.413 HG21 ' CZ ' ' A' ' 25' ' ' PHE . 1.3 m -46.46 -33.85 4.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 0.0 110.419 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.468 ' CD1' HD23 ' A' ' 22' ' ' LEU . 7.9 mt -70.58 -68.38 0.43 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.12 . . . . 0.0 109.284 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.434 ' OE2' ' NE1' ' A' ' 46' ' ' TRP . 5.3 mm-40 -38.11 -50.62 1.39 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 110.288 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 1.3 mm-40 -50.26 -64.17 0.89 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.446 1.091 . . . . 0.0 110.337 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.558 ' CE1' ' HB1' ' A' ' 50' ' ' ALA . 3.7 m-70 -65.0 -11.83 43.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.579 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . 0.538 ' CB ' ' O ' ' A' ' 44' ' ' HIS . 2.1 t-20 86.38 58.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.27 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . 0.505 ' CZ2' ' HG3' ' A' ' 38' ' ' ARG . 85.3 m95 43.93 58.74 3.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 107.985 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . 0.445 ' O ' ' N ' ' A' ' 50' ' ' ALA . 2.0 m-20 -124.92 75.92 1.48 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.108 . . . . 0.0 109.277 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 64.7 mt -40.4 -48.38 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 109.323 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -46.8 -44.27 19.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.151 . . . . 0.0 110.312 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.558 ' HB1' ' CE1' ' A' ' 44' ' ' HIS . . . -85.83 -57.13 3.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 109.279 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.541 ' HB2' ' CE1' ' A' ' 25' ' ' PHE . . . -42.34 -43.19 3.43 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 109.306 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 13.5 t -57.31 -50.9 75.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.512 1.133 . . . . 0.0 109.295 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.538 1.149 . . . . 0.0 110.27 -179.956 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 34.9 p . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 110.398 -0.223 . . . . 0.0 110.398 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -39.08 -56.62 1.41 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 0.0 110.32 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -44.92 -59.93 2.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 110.297 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 72.3 mt-30 -49.21 -59.48 3.63 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 110.273 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 5.7 m -39.16 -59.46 1.01 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 0.0 110.412 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -45.23 -60.56 2.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.455 1.097 . . . . 0.0 110.334 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 7.8 mttm -40.43 -49.61 2.85 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 1.139 . . . . 0.0 109.305 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.469 ' CD1' ' HE1' ' A' ' 34' ' ' MET . 1.7 mt -50.38 -60.14 3.29 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 109.331 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.411 ' N ' HD23 ' A' ' 23' ' ' LEU . 4.9 mt -40.33 -51.94 2.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.152 . . . . 0.0 109.303 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -51.63 -67.91 0.21 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 110.286 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.559 ' CE1' ' HB3' ' A' ' 51' ' ' ALA . 70.2 t80 -49.39 -44.46 45.04 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.531 1.145 . . . . 0.0 111.004 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 -54.95 -42.63 72.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 110.337 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -70.73 -51.6 26.25 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.504 1.127 . . . . 0.0 109.315 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.7 mt -50.92 -68.59 0.16 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.45 1.094 . . . . 0.0 109.274 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.454 HG23 ' CZ ' ' A' ' 25' ' ' PHE . 70.0 p -57.63 -70.2 0.14 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.107 . . . . 0.0 110.369 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 113.58 21.3 5.82 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.46 1.1 . . . . 0.0 110.988 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 12.5 mt -73.94 156.1 6.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.491 0.759 . . . . 0.0 109.315 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -101.34 -51.7 3.42 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.485 1.116 . . . . 0.0 110.318 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 20.1 m -65.9 98.95 0.44 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.44 1.087 . . . . 0.0 109.966 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' MET . . . . . 0.469 ' HE1' ' CD1' ' A' ' 22' ' ' LEU . 0.0 OUTLIER -44.32 -40.92 5.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 111.004 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -54.22 -50.25 67.57 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 0.0 109.292 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 12.3 mm100 -51.81 -39.77 59.32 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.133 . . . . 0.0 110.335 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.46 ' HB3' ' CD2' ' A' ' 22' ' ' LEU . 1.7 m -66.71 -73.72 0.13 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.555 1.16 . . . . 0.0 108.334 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -38.73 -34.3 0.14 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 110.299 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 3.5 t60 -59.0 -64.59 0.89 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.448 1.093 . . . . 0.0 109.611 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.51 HG23 ' CZ ' ' A' ' 25' ' ' PHE . 1.6 m -50.85 -37.21 41.85 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 110.367 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 9.0 mt -70.09 -69.19 0.37 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.45 1.094 . . . . 0.0 109.285 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.439 ' OE2' ' NE1' ' A' ' 46' ' ' TRP . 7.4 mm-40 -38.77 -46.33 1.25 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.544 1.152 . . . . 0.0 110.305 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.07 -64.64 0.75 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 110.307 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.56 ' O ' ' CB ' ' A' ' 45' ' ' ASN . 14.5 m-70 -68.28 -9.71 49.53 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.457 1.098 . . . . 0.0 109.583 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . 0.56 ' CB ' ' O ' ' A' ' 44' ' ' HIS . 1.5 t30 86.55 58.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 0.0 109.335 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . 0.439 ' NE1' ' OE2' ' A' ' 42' ' ' GLU . 83.3 m95 45.25 59.82 3.33 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.515 1.134 . . . . 0.0 108.002 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . 0.449 ' O ' ' N ' ' A' ' 50' ' ' ALA . 1.1 m120 -126.67 78.07 1.76 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.291 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.4 ' C ' ' O ' ' A' ' 47' ' ' ASN . 63.1 mt -40.25 -49.13 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.108 . . . . 0.0 109.288 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -46.7 -44.45 18.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 110.279 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.513 ' HB1' ' CG ' ' A' ' 44' ' ' HIS . . . -84.97 -57.53 3.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 0.0 109.298 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.559 ' HB3' ' CE1' ' A' ' 25' ' ' PHE . . . -42.2 -45.36 4.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 109.322 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 13.3 t -54.83 -47.74 74.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.261 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.418 ' N ' ' O ' ' A' ' 50' ' ' ALA . 2.4 mm-40 . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 110.284 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 74.1 p . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 110.411 -0.218 . . . . 0.0 110.411 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.3 tp60 -47.47 -60.43 2.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 110.299 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 -42.47 -62.16 1.04 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 0.0 110.278 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 12.9 mm-40 -48.35 -59.38 3.5 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.453 1.096 . . . . 0.0 110.302 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 23.5 m -42.56 -59.85 1.74 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 110.402 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -41.34 -59.11 1.64 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.546 1.153 . . . . 0.0 110.316 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -43.7 -47.03 7.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 109.252 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.48 ' CD2' ' HB3' ' A' ' 37' ' ' CYS . 1.1 mt -52.97 -59.44 4.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.137 . . . . 0.0 109.318 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.406 ' N ' HD22 ' A' ' 23' ' ' LEU . 5.0 mt -40.13 -52.49 2.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 109.308 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 2.7 mm-40 -50.29 -67.88 0.22 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.479 1.112 . . . . 0.0 110.291 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.57 ' CZ ' HG23 ' A' ' 29' ' ' THR . 69.5 t80 -46.28 -60.19 2.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.553 1.158 . . . . 0.0 110.991 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.449 ' O ' ' N ' ' A' ' 30' ' ' GLY . 0.7 OUTLIER -40.95 -58.41 1.72 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.13 . . . . 0.0 110.264 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -55.43 -53.72 52.71 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 109.28 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 3.6 mt -52.35 -67.85 0.22 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.142 . . . . 0.0 109.281 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.57 HG23 ' CZ ' ' A' ' 25' ' ' PHE . 34.5 p -54.47 -71.4 0.08 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 110.411 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 26' ' ' GLN . . . 112.77 10.66 16.0 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.496 1.123 . . . . 0.0 111.057 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 21.7 mt -61.97 153.71 5.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.513 0.772 . . . . 0.0 109.316 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 16.4 tt0 -99.54 -56.72 2.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 110.316 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.415 ' O ' ' N ' ' A' ' 36' ' ' GLN . 0.3 OUTLIER -62.86 90.8 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.996 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' MET . . . . . 0.477 ' CE ' HD22 ' A' ' 22' ' ' LEU . 0.0 OUTLIER -38.01 -45.39 0.89 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 0.0 111.026 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -44.25 -47.08 9.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.128 . . . . 0.0 109.247 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.415 ' N ' ' O ' ' A' ' 33' ' ' SER . 64.5 mt-30 -56.85 -47.51 80.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 110.311 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.48 ' HB3' ' CD2' ' A' ' 22' ' ' LEU . 6.1 m -51.83 -73.98 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 108.298 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -41.0 -38.58 1.0 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.491 1.12 . . . . 0.0 110.338 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 7.3 t-160 -54.84 -71.94 0.07 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.461 1.101 . . . . 0.0 109.576 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.569 HG21 ' CZ ' ' A' ' 25' ' ' PHE . 1.4 m -42.39 -46.13 4.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.107 . . . . 0.0 110.428 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.4 ' O ' ' C ' ' A' ' 42' ' ' GLU . 16.6 mt -62.82 -72.01 0.15 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.477 1.111 . . . . 0.0 109.284 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.4 ' C ' ' O ' ' A' ' 41' ' ' LEU . 1.8 mm-40 -38.03 -44.89 0.85 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 110.343 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 1.5 mm-40 -50.68 -62.57 1.52 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 110.323 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.576 ' O ' ' CB ' ' A' ' 45' ' ' ASN . 12.6 m-70 -71.37 -9.6 58.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.598 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . 0.576 ' CB ' ' O ' ' A' ' 44' ' ' HIS . 11.3 t-20 87.7 57.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.117 . . . . 0.0 109.332 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 85.0 m95 46.72 56.72 6.25 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.515 1.135 . . . . 0.0 108.001 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . 0.441 ' O ' ' N ' ' A' ' 50' ' ' ALA . 2.2 m-20 -123.56 78.0 1.55 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.12 . . . . 0.0 109.291 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.426 ' CG2' HG22 ' A' ' 52' ' ' VAL . 56.2 mt -39.49 -52.1 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.554 1.159 . . . . 0.0 109.301 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -45.44 -45.25 12.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.457 1.098 . . . . 0.0 110.268 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.515 ' HB3' ' CG ' ' A' ' 44' ' ' HIS . . . -82.56 -58.48 2.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.283 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.567 ' HB1' ' CE1' ' A' ' 25' ' ' PHE . . . -41.55 -49.21 4.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.452 1.095 . . . . 0.0 109.285 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.426 HG22 ' CG2' ' A' ' 48' ' ' ILE . 5.9 t -51.88 -46.14 40.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.521 1.138 . . . . 0.0 109.274 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.434 ' N ' ' O ' ' A' ' 50' ' ' ALA . 10.6 mm-40 . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 110.328 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 69.2 p . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 110.381 -0.229 . . . . 0.0 110.381 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -47.01 -58.43 3.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 0.0 110.294 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -43.35 -62.99 0.9 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 0.0 110.278 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 54.0 mt-30 -47.92 -60.89 2.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.457 1.098 . . . . 0.0 110.328 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.7 m -39.53 -60.82 0.89 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.446 1.091 . . . . 0.0 110.4 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -41.65 -61.12 1.15 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.493 1.121 . . . . 0.0 110.307 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 8.0 mttp -40.95 -50.27 3.27 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.114 . . . . 0.0 109.312 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.47 ' CD2' ' HB3' ' A' ' 37' ' ' CYS . 1.1 mt -49.5 -59.29 3.88 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.149 . . . . 0.0 109.293 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.412 ' N ' HD23 ' A' ' 23' ' ' LEU . 5.1 mt -40.79 -54.72 2.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 109.313 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 3.9 mm-40 -50.19 -67.95 0.21 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 0.0 110.303 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.568 ' CZ ' HG23 ' A' ' 29' ' ' THR . 72.4 t80 -46.46 -46.43 18.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 111.063 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 6.1 tt0 -54.06 -44.31 70.98 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.11 . . . . 0.0 110.335 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -68.87 -47.23 66.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 109.3 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.9 mt -57.0 -66.54 0.43 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.122 . . . . 0.0 109.322 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.568 HG23 ' CZ ' ' A' ' 25' ' ' PHE . 60.9 p -57.61 -69.0 0.18 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.428 1.08 . . . . 0.0 110.369 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 110.26 23.01 6.23 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.482 1.114 . . . . 0.0 111.032 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 14.5 mt -77.89 153.5 5.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.478 0.752 . . . . 0.0 109.31 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -96.64 -55.96 2.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 110.295 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.9 m -62.72 97.03 0.09 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 109.965 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -41.33 -50.33 3.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 111.004 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -45.4 -53.3 8.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.149 . . . . 0.0 109.305 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 10.2 mm100 -48.34 -40.82 26.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 110.292 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.47 ' HB3' ' CD2' ' A' ' 22' ' ' LEU . 1.3 m -66.42 -73.38 0.13 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 108.301 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.4 ' C ' ' O ' ' A' ' 37' ' ' CYS . 18.1 ttp180 -38.64 -35.38 0.19 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 110.273 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 3.9 t60 -57.32 -64.27 0.94 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 109.62 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.465 HG21 ' CZ ' ' A' ' 25' ' ' PHE . 2.3 m -50.01 -41.45 47.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 110.385 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.438 ' CD1' HD23 ' A' ' 22' ' ' LEU . 7.6 mt -66.54 -69.74 0.29 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.134 . . . . 0.0 109.33 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -38.93 -46.1 1.27 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.448 1.092 . . . . 0.0 110.289 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -50.85 -63.36 1.15 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.125 . . . . 0.0 110.243 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.565 ' O ' ' CB ' ' A' ' 45' ' ' ASN . 9.5 m-70 -68.96 -9.6 52.98 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 109.6 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . 0.565 ' CB ' ' O ' ' A' ' 44' ' ' HIS . 11.2 t-20 87.02 58.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.302 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 85.0 m95 44.53 60.89 2.65 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 108.023 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . 0.453 ' O ' ' N ' ' A' ' 50' ' ' ALA . 2.4 m-20 -128.57 78.36 1.84 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.478 1.111 . . . . 0.0 109.303 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.406 ' O ' ' CG2' ' A' ' 52' ' ' VAL . 43.7 mt -40.43 -48.18 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 0.0 109.347 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -47.4 -44.18 24.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 110.286 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.512 ' HB1' ' CG ' ' A' ' 44' ' ' HIS . . . -85.68 -57.19 3.15 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.476 1.11 . . . . 0.0 109.322 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.506 ' HB2' ' CE1' ' A' ' 25' ' ' PHE . . . -42.95 -43.94 4.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.557 1.161 . . . . 0.0 109.304 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.406 ' CG2' ' O ' ' A' ' 48' ' ' ILE . 24.9 t -56.78 -51.31 68.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 0.0 109.289 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.452 1.095 . . . . 0.0 110.258 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' THR . . . . . 0.4 ' O ' ' C ' ' A' ' 16' ' ' GLN . 82.5 p . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 110.413 -0.217 . . . . 0.0 110.413 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.4 ' C ' ' O ' ' A' ' 15' ' ' THR . 0.0 OUTLIER -38.97 -61.77 0.71 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 110.277 -179.952 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -45.7 -61.23 1.8 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 110.276 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.565 ' OE1' ' CE3' ' A' ' 46' ' ' TRP . 13.2 mm-40 -46.3 -63.49 0.98 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.45 1.094 . . . . 0.0 110.306 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 3.2 m -41.27 -61.72 0.98 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 110.455 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -40.19 -61.57 0.87 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 110.355 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 7.1 mttm -40.64 -51.16 3.03 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.511 1.132 . . . . 0.0 109.292 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.453 ' CD2' ' HB3' ' A' ' 37' ' ' CYS . 1.5 mt -49.71 -59.83 3.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 0.0 109.311 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.403 ' N ' HD22 ' A' ' 23' ' ' LEU . 4.7 mt -40.15 -50.67 2.67 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 109.308 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.58 -67.86 0.22 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.13 . . . . 0.0 110.313 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.568 ' CZ ' HG21 ' A' ' 29' ' ' THR . 55.8 t80 -46.66 -58.59 3.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 111.023 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.452 ' O ' ' N ' ' A' ' 30' ' ' GLY . 1.0 OUTLIER -41.78 -57.49 2.32 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 110.35 179.969 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -55.66 -56.47 20.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 109.319 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 3.6 mt -50.67 -68.55 0.16 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.444 1.09 . . . . 0.0 109.28 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.568 HG21 ' CZ ' ' A' ' 25' ' ' PHE . 27.7 p -52.88 -70.93 0.08 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 0.0 110.411 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.452 ' N ' ' O ' ' A' ' 26' ' ' GLN . . . 113.39 9.51 17.26 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.519 1.137 . . . . 0.0 110.974 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 12.3 mt -66.94 128.02 29.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.545 0.791 . . . . 0.0 109.275 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -73.32 -38.83 65.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 110.306 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.2 m -74.55 128.97 36.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 0.0 109.978 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 1.8 tpt -71.52 -50.75 28.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 111.012 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -47.98 -45.14 31.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 109.316 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 37.2 mt-30 -58.11 -37.33 74.36 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.136 . . . . 0.0 110.244 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.453 ' HB3' ' CD2' ' A' ' 22' ' ' LEU . 11.1 m -67.75 -73.68 0.14 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.135 . . . . 0.0 108.295 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 2.8 ttm180 -44.83 -33.06 1.79 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.434 1.084 . . . . 0.0 110.303 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 3.1 t60 -57.75 -63.83 1.11 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.628 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.523 HG22 ' CZ ' ' A' ' 25' ' ' PHE . 1.4 m -52.15 -38.26 57.07 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.521 1.138 . . . . 0.0 110.422 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 8.9 mt -68.26 -68.1 0.42 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.118 . . . . 0.0 109.302 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -39.54 -46.96 1.83 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 110.291 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -50.87 -63.23 1.19 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.471 1.107 . . . . 0.0 110.334 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.542 ' O ' ' CB ' ' A' ' 45' ' ' ASN . 8.2 m-70 -67.63 -9.59 44.49 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.561 1.163 . . . . 0.0 109.592 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . 0.542 ' CB ' ' O ' ' A' ' 44' ' ' HIS . 32.8 t30 86.74 57.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 109.301 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . 0.565 ' CE3' ' OE1' ' A' ' 18' ' ' GLN . 85.6 m95 45.35 57.72 4.66 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . 0.438 ' O ' ' N ' ' A' ' 50' ' ' ALA . 1.2 m120 -124.16 75.19 1.35 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.543 1.152 . . . . 0.0 109.338 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.407 ' C ' ' O ' ' A' ' 47' ' ' ASN . 89.0 mt -39.54 -51.62 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.482 1.114 . . . . 0.0 109.326 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -44.7 -44.9 9.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.455 1.097 . . . . 0.0 110.292 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.514 ' HB1' ' CG ' ' A' ' 44' ' ' HIS . . . -84.49 -57.25 3.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 109.311 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.483 ' HB1' ' CE1' ' A' ' 25' ' ' PHE . . . -41.56 -46.13 3.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.1 . . . . 0.0 109.304 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 7.6 t -56.19 -51.46 62.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 109.293 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.104 . . . . 0.0 110.275 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 73.0 p . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 110.435 -0.209 . . . . 0.0 110.435 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 11.1 mp0 -41.3 -58.1 1.93 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 110.328 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -43.06 -61.37 1.32 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 110.336 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 82.1 mt-30 -49.37 -57.58 6.65 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 110.277 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 19.9 m -41.5 -60.78 1.21 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.54 1.15 . . . . 0.0 110.39 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -42.39 -62.06 1.05 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 0.0 110.278 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.5 mttp -40.46 -50.52 2.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.327 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.471 ' CD2' ' HB3' ' A' ' 37' ' ' CYS . 1.6 mt -49.67 -58.63 4.92 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.524 1.14 . . . . 0.0 109.332 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.406 ' N ' HD23 ' A' ' 23' ' ' LEU . 5.0 mt -41.8 -51.6 4.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 109.285 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.32 -68.5 0.16 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 0.0 110.24 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.568 ' CE1' ' HB3' ' A' ' 51' ' ' ALA . 54.4 t80 -46.14 -57.64 4.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.109 . . . . 0.0 110.949 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.451 ' O ' ' N ' ' A' ' 30' ' ' GLY . 0.8 OUTLIER -42.96 -58.85 2.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 110.306 -179.974 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -55.84 -53.46 56.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.151 . . . . 0.0 109.327 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.9 mt -51.34 -68.46 0.17 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 109.299 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.534 HG22 ' CZ ' ' A' ' 25' ' ' PHE . 36.1 p -55.41 -71.16 0.09 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.139 . . . . 0.0 110.459 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.451 ' N ' ' O ' ' A' ' 26' ' ' GLN . . . 113.46 17.56 7.54 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.504 1.127 . . . . 0.0 110.999 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 13.9 mt -72.5 128.0 34.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.51 0.771 . . . . 0.0 109.339 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -67.3 -65.74 0.65 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.493 1.121 . . . . 0.0 110.337 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.2 m -56.92 100.71 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 110.052 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -49.96 -36.85 29.6 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 110.982 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -51.52 -50.3 60.25 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.501 1.126 . . . . 0.0 109.286 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 19.3 mt-30 -53.2 -45.66 68.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 110.265 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.471 ' HB3' ' CD2' ' A' ' 22' ' ' LEU . 2.0 m -53.25 -73.8 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 108.329 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -39.96 -35.96 0.42 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.49 1.119 . . . . 0.0 110.32 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 4.5 t-160 -54.41 -70.62 0.09 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.445 1.091 . . . . 0.0 109.614 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.564 HG21 ' CZ ' ' A' ' 25' ' ' PHE . 1.4 m -44.95 -43.92 9.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 110.392 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.406 ' CD1' HD22 ' A' ' 22' ' ' LEU . 12.8 mt -62.61 -69.67 0.25 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.544 1.153 . . . . 0.0 109.298 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -38.73 -48.11 1.45 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.119 . . . . 0.0 110.321 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 5.6 mt-30 -50.97 -63.1 1.24 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 110.313 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.568 ' CE1' ' HB3' ' A' ' 50' ' ' ALA . 2.2 m-70 -67.79 -9.45 44.29 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.472 1.107 . . . . 0.0 109.628 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . 0.527 ' CB ' ' O ' ' A' ' 44' ' ' HIS . 4.9 m-20 85.51 58.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.551 1.157 . . . . 0.0 109.319 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 84.7 m95 43.89 59.73 3.02 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . 0.446 ' O ' ' N ' ' A' ' 50' ' ' ALA . 1.9 m-20 -126.56 75.63 1.56 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 109.326 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.455 ' CG2' HG23 ' A' ' 52' ' ' VAL . 70.6 mt -39.73 -51.42 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 109.289 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -44.51 -44.21 8.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 0.0 110.288 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.568 ' HB3' ' CE1' ' A' ' 44' ' ' HIS . . . -85.58 -56.78 3.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.338 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.568 ' HB3' ' CE1' ' A' ' 25' ' ' PHE . . . -41.87 -44.95 3.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 109.275 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.455 HG23 ' CG2' ' A' ' 48' ' ' ILE . 9.5 t -57.76 -53.81 39.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.51 1.132 . . . . 0.0 109.249 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.413 ' NE2' HG12 ' A' ' 52' ' ' VAL . 1.0 OUTLIER . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.144 . . . . 0.0 110.296 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 71.1 p . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 110.384 -0.228 . . . . 0.0 110.384 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 8.7 mt-30 -46.27 -59.74 2.74 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 110.275 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -43.81 -62.38 1.13 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.516 1.135 . . . . 0.0 110.254 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 35.7 mt-30 -50.82 -60.49 3.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 110.29 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 11.8 m -38.88 -57.53 1.22 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.49 1.119 . . . . 0.0 110.4 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -43.61 -59.2 2.29 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.476 1.11 . . . . 0.0 110.262 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.8 mttt -42.51 -48.86 5.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 109.289 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.466 ' CD2' ' HB3' ' A' ' 37' ' ' CYS . 1.7 mt -51.58 -60.16 3.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.281 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.41 ' N ' HD23 ' A' ' 23' ' ' LEU . 4.3 mt -40.29 -49.41 2.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 109.282 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -53.69 -67.37 0.26 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.141 . . . . 0.0 110.355 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.546 ' CE1' ' HB1' ' A' ' 51' ' ' ALA . 57.5 t80 -49.89 -44.5 50.07 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 0.0 110.983 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -55.31 -43.85 75.25 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.465 1.103 . . . . 0.0 110.287 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -67.61 -51.79 46.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 109.303 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.2 mt -53.1 -73.24 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.5 1.125 . . . . 0.0 109.279 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.51 HG23 ' CZ ' ' A' ' 25' ' ' PHE . 61.3 p -51.62 -68.49 0.17 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.486 1.116 . . . . 0.0 110.371 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.414 ' N ' ' OG1' ' A' ' 29' ' ' THR . . . 111.46 13.06 13.62 Favored Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.522 1.139 . . . . 0.0 111.015 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 12.3 mt -68.75 125.45 26.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.548 0.793 . . . . 0.0 109.268 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -72.08 -40.44 68.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 110.334 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -73.61 105.14 4.81 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 110.02 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -52.56 -49.32 65.15 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.525 1.141 . . . . 0.0 111.038 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 26.5 m-20 -46.74 -51.33 16.46 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.537 1.148 . . . . 0.0 109.274 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 15.7 mt-30 -51.03 -45.69 61.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 110.257 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.466 ' HB3' ' CD2' ' A' ' 22' ' ' LEU . 1.7 m -57.2 -73.77 0.06 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.128 . . . . 0.0 108.232 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 6.4 ttt180 -38.49 -40.5 0.57 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 110.262 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 10.5 t-160 -50.15 -67.02 0.29 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.496 1.123 . . . . 0.0 109.56 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.522 HG21 ' CZ ' ' A' ' 25' ' ' PHE . 1.5 m -48.42 -47.62 37.74 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.465 1.103 . . . . 0.0 110.383 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 9.8 mt -58.43 -69.15 0.2 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.561 1.163 . . . . 0.0 109.332 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -38.59 -47.07 1.27 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.13 . . . . 0.0 110.319 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -50.98 -63.1 1.24 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.545 1.153 . . . . 0.0 110.275 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.55 ' O ' ' CB ' ' A' ' 45' ' ' ASN . 4.6 m-70 -67.67 -9.67 45.47 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 0.0 109.566 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . 0.55 ' CB ' ' O ' ' A' ' 44' ' ' HIS . 33.7 t30 87.11 56.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 0.0 109.326 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 86.2 m95 46.52 56.84 5.99 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . 0.442 ' O ' ' N ' ' A' ' 50' ' ' ALA . 1.4 m120 -124.81 75.15 1.4 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 0.0 109.269 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 91.7 mt -40.65 -49.45 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.516 1.135 . . . . 0.0 109.308 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -45.75 -42.85 12.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.443 1.089 . . . . 0.0 110.278 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.514 ' HB2' ' CG ' ' A' ' 44' ' ' HIS . . . -87.62 -56.9 3.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.448 1.093 . . . . 0.0 109.322 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.546 ' HB1' ' CE1' ' A' ' 25' ' ' PHE . . . -42.85 -43.36 4.01 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.499 1.124 . . . . 0.0 109.285 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 16.9 t -57.47 -53.68 41.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.275 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 4.0 mm-40 . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.147 . . . . 0.0 110.327 179.986 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 10.6 p . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 110.424 -0.213 . . . . 0.0 110.424 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -40.81 -60.97 1.04 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 110.276 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -45.41 -61.71 1.56 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.524 1.14 . . . . 0.0 110.339 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.507 ' OE1' ' CD2' ' A' ' 46' ' ' TRP . 10.6 mm100 -47.8 -64.06 0.89 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.51 1.131 . . . . 0.0 110.268 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 3.0 m -41.8 -60.53 1.34 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 110.404 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -39.83 -60.58 0.98 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 110.287 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.7 mttt -42.08 -54.36 3.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.456 1.097 . . . . 0.0 109.276 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.433 ' CD2' ' HB3' ' A' ' 37' ' ' CYS . 1.2 mt -46.09 -56.67 5.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 109.234 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.413 ' N ' HD21 ' A' ' 23' ' ' LEU . 5.5 mt -42.76 -58.76 2.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.32 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -46.67 -67.25 0.3 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 110.293 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.575 ' CZ ' HG22 ' A' ' 29' ' ' THR . 81.1 t80 -45.78 -58.52 3.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 111.002 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.424 ' O ' ' N ' ' A' ' 30' ' ' GLY . 1.0 OUTLIER -43.97 -59.52 2.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 110.311 179.964 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -50.65 -46.97 58.69 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.517 1.135 . . . . 0.0 109.263 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 3.4 mt -58.49 -74.83 0.06 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.542 1.151 . . . . 0.0 109.299 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.575 HG22 ' CZ ' ' A' ' 25' ' ' PHE . 71.9 p -48.18 -66.09 0.46 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.477 1.11 . . . . 0.0 110.413 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.424 ' N ' ' O ' ' A' ' 26' ' ' GLN . . . 110.15 5.44 28.62 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.471 1.107 . . . . 0.0 110.975 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 10.2 mt -55.4 155.5 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.537 0.786 . . . . 0.0 109.316 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -98.74 -54.94 2.87 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.566 1.166 . . . . 0.0 110.292 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -67.38 104.64 1.57 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.496 1.123 . . . . 0.0 110.033 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -47.29 -42.51 21.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 111.014 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -47.39 -57.76 4.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.107 . . . . 0.0 109.327 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -45.99 -46.04 16.14 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.464 1.102 . . . . 0.0 110.328 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.433 ' HB3' ' CD2' ' A' ' 22' ' ' LEU . 8.4 m -58.96 -73.81 0.08 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.143 . . . . 0.0 108.319 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.419 ' HG3' ' CH2' ' A' ' 46' ' ' TRP . 10.2 ttp-105 -43.02 -33.4 0.81 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 110.33 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 13.3 t-160 -61.89 -60.43 3.64 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.499 1.124 . . . . 0.0 109.631 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.534 HG21 ' CZ ' ' A' ' 25' ' ' PHE . 1.0 OUTLIER -55.28 -18.11 5.74 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 110.427 179.946 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.45 ' O ' ' N ' ' A' ' 44' ' ' HIS . 9.3 mt -90.82 -67.83 0.83 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.118 . . . . 0.0 109.316 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -39.13 -43.67 1.08 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 110.318 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . 0.511 ' CG ' ' N ' ' A' ' 44' ' ' HIS . 7.7 pt20 -55.79 -47.02 77.83 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.448 1.093 . . . . 0.0 110.266 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.544 ' O ' ' CB ' ' A' ' 45' ' ' ASN . 71.8 m-70 -83.99 -9.2 58.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.14 . . . . 0.0 109.564 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . 0.544 ' CB ' ' O ' ' A' ' 44' ' ' HIS . 4.2 m120 85.54 46.25 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 109.26 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . 0.507 ' CD2' ' OE1' ' A' ' 18' ' ' GLN . 87.1 m95 56.78 56.59 5.34 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.538 1.149 . . . . 0.0 107.998 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . 0.449 ' O ' ' N ' ' A' ' 50' ' ' ALA . 2.3 m-20 -121.26 79.79 1.57 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.122 . . . . 0.0 109.312 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.419 HG21 ' CG2' ' A' ' 52' ' ' VAL . 32.7 mt -40.68 -47.18 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 109.301 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -49.66 -44.61 47.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.142 . . . . 0.0 110.272 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.511 ' HB3' ' CG ' ' A' ' 44' ' ' HIS . . . -82.59 -55.46 4.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.292 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.49 ' HB2' ' CE1' ' A' ' 25' ' ' PHE . . . -45.69 -51.53 12.27 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.465 1.103 . . . . 0.0 109.309 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.419 ' CG2' HG21 ' A' ' 48' ' ' ILE . 39.4 t -51.05 -46.81 31.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 109.288 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 9.8 mm-40 . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 110.274 -179.998 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 7.1 p . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 110.416 -0.216 . . . . 0.0 110.416 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 8.2 mt-30 -41.73 -59.68 1.59 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 110.294 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -41.58 -62.24 0.92 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.451 1.094 . . . . 0.0 110.29 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 59.7 mt-30 -46.92 -60.34 2.5 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.511 1.132 . . . . 0.0 110.262 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.9 m -41.75 -55.11 3.11 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.466 1.104 . . . . 0.0 110.38 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -47.97 -60.81 2.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 110.309 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.6 mttt -41.53 -46.65 3.59 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.531 1.145 . . . . 0.0 109.317 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.462 ' CD2' ' HB3' ' A' ' 37' ' ' CYS . 1.5 mt -52.68 -59.71 4.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 109.276 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.407 ' N ' HD22 ' A' ' 23' ' ' LEU . 5.0 mt -40.68 -52.41 2.93 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 109.336 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 4.5 mm100 -52.61 -68.19 0.19 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 110.305 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.557 ' CZ ' HG23 ' A' ' 29' ' ' THR . 37.2 t80 -45.78 -57.48 4.25 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.47 1.106 . . . . 0.0 111.022 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.452 ' O ' ' N ' ' A' ' 30' ' ' GLY . 1.0 OUTLIER -43.45 -58.64 2.5 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.113 . . . . 0.0 110.315 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -55.06 -56.55 18.52 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 109.28 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 3.3 mt -48.02 -71.78 0.06 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.442 1.089 . . . . 0.0 109.282 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.557 HG23 ' CZ ' ' A' ' 25' ' ' PHE . 24.1 p -53.45 -70.64 0.09 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.459 1.099 . . . . 0.0 110.404 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.452 ' N ' ' O ' ' A' ' 26' ' ' GLN . . . 115.11 18.2 6.42 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.528 1.142 . . . . 0.0 111.017 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 14.4 mt -69.91 147.23 11.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.492 0.76 . . . . 0.0 109.315 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 26.5 mm-40 -91.04 -58.34 2.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 110.252 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.75 103.78 0.47 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.49 1.119 . . . . 0.0 110.026 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 2.1 tpt -44.89 -45.53 10.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.55 1.156 . . . . 0.0 110.992 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -50.92 -55.41 17.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.446 1.091 . . . . 0.0 109.319 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 9.6 mm100 -44.96 -37.57 4.09 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.524 1.14 . . . . 0.0 110.278 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.462 ' HB3' ' CD2' ' A' ' 22' ' ' LEU . 1.1 m -69.36 -73.65 0.15 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.533 1.146 . . . . 0.0 108.294 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.504 ' HG3' ' CZ2' ' A' ' 46' ' ' TRP . 27.5 ttp180 -40.3 -30.21 0.1 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.459 1.099 . . . . 0.0 110.278 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.412 ' N ' ' C ' ' A' ' 37' ' ' CYS . 8.6 t-160 -59.9 -68.28 0.3 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.454 1.096 . . . . 0.0 109.572 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.436 HG23 ' CZ ' ' A' ' 25' ' ' PHE . 1.2 m -49.78 -32.69 14.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 110.359 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.45 ' CD1' HD22 ' A' ' 22' ' ' LEU . 12.4 mt -72.84 -68.1 0.51 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 109.293 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -39.07 -48.33 1.64 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.53 1.144 . . . . 0.0 110.307 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -50.76 -63.64 1.06 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.512 1.133 . . . . 0.0 110.291 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.555 ' CE1' ' HB2' ' A' ' 50' ' ' ALA . 2.6 m-70 -67.25 -9.89 45.11 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.537 1.148 . . . . 0.0 109.576 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . 0.526 ' CB ' ' O ' ' A' ' 44' ' ' HIS . 7.3 m-20 85.25 58.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 109.294 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . 0.504 ' CZ2' ' HG3' ' A' ' 38' ' ' ARG . 81.5 m95 43.62 62.32 1.94 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 108.016 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . 0.446 ' O ' ' N ' ' A' ' 50' ' ' ALA . 1.2 m120 -127.74 76.76 1.7 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.511 1.132 . . . . 0.0 109.297 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.442 ' CG2' HG23 ' A' ' 52' ' ' VAL . 57.6 mt -40.08 -49.68 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.548 1.155 . . . . 0.0 109.345 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -46.37 -44.57 17.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.125 . . . . 0.0 110.264 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.555 ' HB2' ' CE1' ' A' ' 44' ' ' HIS . . . -84.69 -57.64 3.04 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 109.284 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.483 ' HB1' ' CE1' ' A' ' 25' ' ' PHE . . . -40.77 -43.59 2.03 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.561 1.163 . . . . 0.0 109.314 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.442 HG23 ' CG2' ' A' ' 48' ' ' ILE . 9.4 t -62.69 -48.97 85.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.538 1.149 . . . . 0.0 109.29 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.433 ' N ' ' O ' ' A' ' 50' ' ' ALA . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.103 . . . . 0.0 110.282 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 10.4 p . . . . . 0 N--CA 1.452 -0.34 0 N-CA-C 110.449 -0.204 . . . . 0.0 110.449 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -39.77 -61.5 0.83 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 110.277 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -44.07 -64.98 0.57 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 110.296 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 77.2 mt-30 -48.43 -61.01 2.23 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.556 1.16 . . . . 0.0 110.285 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 15.5 m -41.77 -60.87 1.23 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.144 . . . . 0.0 110.362 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -43.81 -61.32 1.46 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 0.0 110.311 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 10.3 mttp -40.5 -57.03 1.92 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.29 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.461 ' CD2' ' HB3' ' A' ' 37' ' ' CYS . 1.5 mt -43.6 -56.86 3.46 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.465 1.103 . . . . 0.0 109.306 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.41 ' N ' HD23 ' A' ' 23' ' ' LEU . 5.7 mt -42.54 -61.46 1.22 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 109.291 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -46.1 -62.73 1.21 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 110.266 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.479 ' CE1' ' HB3' ' A' ' 51' ' ' ALA . 77.6 t80 -51.98 -43.98 63.82 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.491 1.119 . . . . 0.0 111.013 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 7.7 tt0 -59.38 -40.52 86.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.148 . . . . 0.0 110.281 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -71.17 -41.56 70.23 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.555 1.159 . . . . 0.0 109.315 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.7 mt -62.36 -64.46 0.92 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 109.272 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 41.5 p -58.37 -73.77 0.07 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.443 1.089 . . . . 0.0 110.379 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 116.46 14.37 7.6 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.499 1.124 . . . . 0.0 111.035 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 11.0 mt -67.31 157.03 6.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.491 0.759 . . . . 0.0 109.275 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -100.27 -48.77 4.48 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 0.0 110.289 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 18.3 m -72.27 103.56 3.42 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 110.009 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -46.77 -45.39 19.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 110.987 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -45.47 -59.36 2.75 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.464 1.102 . . . . 0.0 109.338 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 13.1 mm100 -43.44 -43.14 5.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 110.25 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.461 ' HB3' ' CD2' ' A' ' 22' ' ' LEU . 3.0 m -66.72 -73.8 0.13 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.562 1.164 . . . . 0.0 108.321 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -40.12 -32.55 0.18 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.142 . . . . 0.0 110.283 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 10.4 t-160 -64.72 -60.1 3.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.574 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.465 HG22 ' CZ ' ' A' ' 25' ' ' PHE . 1.0 OUTLIER -56.22 -17.92 8.83 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.458 1.099 . . . . 0.0 110.396 -179.973 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.456 ' O ' ' N ' ' A' ' 44' ' ' HIS . 8.5 mt -91.23 -66.15 0.95 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.273 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -41.97 -42.48 2.83 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 110.288 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . 0.422 ' NE2' ' HA ' ' A' ' 40' ' ' THR . 1.9 pt20 -57.13 -41.57 79.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 110.292 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.577 ' O ' ' CB ' ' A' ' 45' ' ' ASN . 62.3 m-70 -88.07 -9.5 53.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.655 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . 0.577 ' CB ' ' O ' ' A' ' 44' ' ' HIS . 21.9 t30 88.18 36.99 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.494 1.121 . . . . 0.0 109.324 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 85.7 m95 65.08 52.51 1.5 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 108.024 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . 0.447 ' O ' ' N ' ' A' ' 50' ' ' ALA . 0.8 OUTLIER -116.8 81.12 1.58 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.281 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.467 HG21 ' CG2' ' A' ' 52' ' ' VAL . 35.7 mt -41.66 -46.03 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.438 1.086 . . . . 0.0 109.316 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -50.12 -43.17 51.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 110.328 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.503 ' CB ' ' ND1' ' A' ' 44' ' ' HIS . . . -84.57 -54.94 4.4 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 109.262 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.479 ' HB3' ' CE1' ' A' ' 25' ' ' PHE . . . -46.4 -50.04 17.18 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 109.341 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.467 ' CG2' HG21 ' A' ' 48' ' ' ILE . 41.0 t -51.41 -38.69 20.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 109.302 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.448 ' O ' ' NE2' ' A' ' 53' ' ' GLN . 9.3 tp60 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 110.278 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 15.3 p . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 110.394 -0.225 . . . . 0.0 110.394 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 18.3 mt-30 -44.5 -53.25 7.17 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 0.0 110.339 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -47.98 -60.97 2.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 110.309 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.401 ' NE2' ' NE1' ' A' ' 46' ' ' TRP . 72.8 mt-30 -49.09 -57.67 6.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 110.296 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 19.2 m -40.93 -60.5 1.17 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 110.395 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -45.88 -59.27 2.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.104 . . . . 0.0 110.323 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -42.11 -46.12 4.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.546 1.154 . . . . 0.0 109.326 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.478 ' CD2' ' HB3' ' A' ' 37' ' ' CYS . 0.9 OUTLIER -53.56 -59.9 4.0 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.477 1.111 . . . . 0.0 109.32 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.402 ' N ' HD23 ' A' ' 23' ' ' LEU . 4.8 mt -40.83 -49.1 3.16 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.128 . . . . 0.0 109.308 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.69 -67.75 0.24 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 110.262 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.546 ' CZ ' HG21 ' A' ' 40' ' ' THR . 26.8 t80 -45.95 -57.65 4.22 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.142 . . . . 0.0 110.965 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -46.89 -59.39 3.11 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 110.296 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -52.54 -47.26 66.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.57 1.169 . . . . 0.0 109.349 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 4.8 mt -61.69 -78.07 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.564 1.165 . . . . 0.0 109.311 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.54 HG22 ' CZ ' ' A' ' 25' ' ' PHE . 81.9 p -43.09 -61.45 1.31 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 110.383 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 105.4 7.51 37.16 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.472 1.108 . . . . 0.0 110.994 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 22.0 mt -58.02 129.94 20.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.535 0.785 . . . . 0.0 109.292 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.414 ' HG3' ' N ' ' A' ' 33' ' ' SER . 8.1 pt-20 -77.81 -31.05 51.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 110.304 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.414 ' N ' ' HG3' ' A' ' 32' ' ' GLU . 0.4 OUTLIER -85.58 115.17 23.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.557 1.161 . . . . 0.0 110.003 -179.976 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 2.4 tpt -58.25 -53.56 56.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 110.995 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -46.78 -50.77 17.72 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 109.297 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 10.3 mm100 -49.97 -44.53 50.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.132 . . . . 0.0 110.287 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.478 ' HB3' ' CD2' ' A' ' 22' ' ' LEU . 1.2 m -58.64 -73.64 0.08 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.104 . . . . 0.0 108.26 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.408 ' HG3' ' CH2' ' A' ' 46' ' ' TRP . 32.4 ttp180 -40.91 -38.41 0.95 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 110.332 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 9.8 t-160 -50.78 -71.08 0.07 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 109.579 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.546 HG21 ' CZ ' ' A' ' 25' ' ' PHE . 1.2 m -44.75 -44.63 9.41 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.536 1.147 . . . . 0.0 110.38 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.4 ' O ' ' N ' ' A' ' 45' ' ' ASN . 15.0 mt -61.01 -69.97 0.21 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.45 1.094 . . . . 0.0 109.275 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -38.23 -46.46 1.08 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.512 1.133 . . . . 0.0 110.296 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 2.7 mm-40 -51.37 -61.46 2.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 110.354 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.568 ' CE1' ' HB1' ' A' ' 50' ' ' ALA . 2.3 m-70 -70.69 -9.18 56.56 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.538 1.149 . . . . 0.0 109.624 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . 0.547 ' CB ' ' O ' ' A' ' 44' ' ' HIS . 1.6 m-20 85.67 58.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.122 . . . . 0.0 109.302 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . 0.408 ' CH2' ' HG3' ' A' ' 38' ' ' ARG . 85.1 m95 45.32 61.83 2.41 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 0.0 108.043 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . 0.448 ' O ' ' N ' ' A' ' 50' ' ' ALA . 3.5 m-20 -129.99 75.31 1.64 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.543 1.152 . . . . 0.0 109.279 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 76.4 mt -40.74 -49.03 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 0.0 109.281 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.406 ' O ' ' CD ' ' A' ' 53' ' ' GLN . 1.1 mm-40 -46.22 -42.56 14.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 110.322 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.568 ' HB1' ' CE1' ' A' ' 44' ' ' HIS . . . -87.62 -56.56 3.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.279 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.433 ' HB1' ' CE1' ' A' ' 25' ' ' PHE . . . -43.27 -42.46 4.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.112 . . . . 0.0 109.267 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 22.7 t -60.39 -44.77 96.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 109.28 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.447 ' N ' ' O ' ' A' ' 50' ' ' ALA . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 110.319 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 7.1 p . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 110.412 -0.218 . . . . 0.0 110.412 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -38.96 -61.5 0.73 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 110.319 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -44.4 -58.33 3.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 110.284 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 14.5 mm100 -50.3 -63.47 1.11 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 110.329 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.9 m -42.13 -44.27 3.6 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.478 1.111 . . . . 0.0 110.409 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.412 ' HG2' ' N ' ' A' ' 21' ' ' LYS . 0.0 OUTLIER -56.44 -46.66 80.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 110.284 -179.968 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.412 ' N ' ' HG2' ' A' ' 20' ' ' GLU . 8.6 mttp -56.03 -36.54 68.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.249 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.469 ' CD2' ' HB3' ' A' ' 37' ' ' CYS . 2.5 mt -62.98 -57.03 12.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.322 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.412 ' N ' HD23 ' A' ' 23' ' ' LEU . 4.9 mt -41.52 -50.3 3.98 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 0.0 109.314 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -52.7 -68.03 0.2 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.502 1.126 . . . . 0.0 110.29 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.571 ' CZ ' HG23 ' A' ' 29' ' ' THR . 59.8 t80 -48.01 -58.6 4.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 110.97 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.435 ' O ' ' N ' ' A' ' 30' ' ' GLY . 1.1 tt0 -40.87 -57.77 1.87 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 110.265 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -56.15 -56.24 23.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.316 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.8 mt -50.71 -68.54 0.16 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.276 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.571 HG23 ' CZ ' ' A' ' 25' ' ' PHE . 27.2 p -52.7 -71.27 0.07 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 110.348 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.435 ' N ' ' O ' ' A' ' 26' ' ' GLN . . . 114.86 12.75 9.89 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.508 1.13 . . . . 0.0 111.031 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 18.5 mt -70.06 148.54 11.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.482 0.754 . . . . 0.0 109.304 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -92.34 -58.1 2.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 110.297 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.97 106.78 0.75 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 109.99 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' MET . . . . . 0.432 ' HE3' ' CD2' ' A' ' 22' ' ' LEU . 2.4 tpt -49.29 -41.62 38.7 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.46 1.1 . . . . 0.0 110.974 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -51.08 -49.52 60.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 109.297 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 13.8 mt-30 -53.12 -41.05 64.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.12 . . . . 0.0 110.282 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.469 ' HB3' ' CD2' ' A' ' 22' ' ' LEU . 3.3 m -65.65 -73.86 0.12 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 108.261 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 21.5 ttt180 -39.41 -33.93 0.18 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 0.0 110.291 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 3.9 t60 -60.2 -64.77 0.83 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.603 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.519 HG21 ' CZ ' ' A' ' 25' ' ' PHE . 2.5 m -49.96 -36.01 26.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 110.421 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.467 ' CD1' HD23 ' A' ' 22' ' ' LEU . 8.4 mt -72.11 -69.79 0.37 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 109.326 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.421 ' HG2' ' NE1' ' A' ' 46' ' ' TRP . 3.1 mm-40 -38.9 -43.32 0.94 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 110.29 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.21 -61.06 2.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.1 . . . . 0.0 110.311 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.551 ' O ' ' CB ' ' A' ' 45' ' ' ASN . 5.1 m-70 -70.81 -9.61 57.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.096 . . . . 0.0 109.594 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . 0.551 ' CB ' ' O ' ' A' ' 44' ' ' HIS . 10.3 t-20 87.26 57.17 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.536 1.148 . . . . 0.0 109.307 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . 0.421 ' NE1' ' HG2' ' A' ' 42' ' ' GLU . 85.5 m95 45.71 60.46 3.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.106 . . . . 0.0 108.018 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . 0.443 ' O ' ' N ' ' A' ' 50' ' ' ALA . 1.3 m-20 -127.48 76.64 1.68 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.131 . . . . 0.0 109.29 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.452 ' CG2' HG22 ' A' ' 52' ' ' VAL . 58.1 mt -39.03 -51.07 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.472 1.108 . . . . 0.0 109.322 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -45.83 -46.49 15.6 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 110.286 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.514 ' HB3' ' CG ' ' A' ' 44' ' ' HIS . . . -82.0 -56.69 3.8 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 109.271 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.447 ' HB3' ' CE1' ' A' ' 25' ' ' PHE . . . -42.08 -49.41 4.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 109.292 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.452 HG22 ' CG2' ' A' ' 48' ' ' ILE . 13.6 t -51.05 -44.93 29.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.302 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.433 ' N ' ' O ' ' A' ' 50' ' ' ALA . 0.9 OUTLIER . . . . . 0 C--N 1.324 -0.519 0 O-C-N 124.537 1.148 . . . . 0.0 110.27 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' THR . . . . . 0.435 ' OG1' ' N ' ' A' ' 16' ' ' GLN . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 110.386 -0.227 . . . . 0.0 110.386 . . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.435 ' N ' ' OG1' ' A' ' 15' ' ' THR . 1.6 tm0? -54.79 -18.99 5.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.454 1.096 . . . . 0.0 110.323 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -79.67 -61.74 1.9 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.514 1.134 . . . . 0.0 110.32 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 14.3 mm100 -45.45 -54.76 6.94 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.533 1.146 . . . . 0.0 110.3 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 17.6 m -44.28 -55.11 5.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 110.389 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -44.48 -59.85 2.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.442 1.089 . . . . 0.0 110.294 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -44.18 -44.7 7.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.427 1.08 . . . . 0.0 109.317 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.461 ' CD2' ' HB3' ' A' ' 37' ' ' CYS . 0.8 OUTLIER -55.43 -59.0 5.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.434 1.084 . . . . 0.0 109.278 -179.976 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.42 ' N ' HD23 ' A' ' 23' ' ' LEU . 5.3 mt -40.36 -50.04 2.81 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.432 1.083 . . . . 0.0 109.333 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.86 -67.49 0.25 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 110.233 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.57 ' CZ ' HG23 ' A' ' 40' ' ' THR . 38.1 t80 -47.66 -52.11 19.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.455 1.097 . . . . 0.0 110.999 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -54.03 -41.3 67.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 110.279 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -71.78 -36.37 70.33 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.461 1.101 . . . . 0.0 109.299 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 3.8 mt -69.68 -63.78 1.01 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.509 1.131 . . . . 0.0 109.317 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.413 HG23 ' CE1' ' A' ' 25' ' ' PHE . 28.3 p -62.98 -72.16 0.14 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 110.372 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 114.54 16.35 7.64 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.512 1.133 . . . . 0.0 110.974 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 18.0 mt -68.9 127.42 30.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.529 0.782 . . . . 0.0 109.306 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.86 -52.17 27.13 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.465 1.103 . . . . 0.0 110.304 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -63.56 113.12 3.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.098 . . . . 0.0 110.002 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.53 -49.24 78.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 111.002 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -50.23 -42.21 51.35 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.128 . . . . 0.0 109.273 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 10.4 mt-30 -59.55 -31.09 69.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.107 . . . . 0.0 110.284 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.461 ' HB3' ' CD2' ' A' ' 22' ' ' LEU . 1.6 m -75.62 -74.02 0.23 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 108.296 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.476 ' HG3' ' CZ2' ' A' ' 46' ' ' TRP . 35.3 ttp180 -40.04 -30.21 0.09 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 110.295 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.414 ' N ' ' C ' ' A' ' 37' ' ' CYS . 8.9 t60 -61.53 -69.73 0.23 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 109.614 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.57 HG23 ' CZ ' ' A' ' 25' ' ' PHE . 1.2 m -46.3 -31.94 2.84 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 110.37 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 19.7 mt -76.34 -70.53 0.44 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 109.326 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.411 ' HG2' ' NE1' ' A' ' 46' ' ' TRP . 2.4 mm-40 -38.9 -43.44 0.95 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 110.311 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -49.69 -65.87 0.49 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.505 1.128 . . . . 0.0 110.255 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.589 ' O ' ' CB ' ' A' ' 45' ' ' ASN . 2.2 m-70 -69.16 -9.43 52.84 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 109.639 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . 0.589 ' CB ' ' O ' ' A' ' 44' ' ' HIS . 23.9 t30 88.76 59.89 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 109.292 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . 0.476 ' CZ2' ' HG3' ' A' ' 38' ' ' ARG . 82.8 m95 44.87 62.81 1.94 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 107.979 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . 0.464 ' O ' ' N ' ' A' ' 50' ' ' ALA . 0.8 OUTLIER -129.8 76.92 1.76 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 109.302 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.456 ' CG2' HG21 ' A' ' 52' ' ' VAL . 49.1 mt -39.71 -51.44 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 109.306 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -45.96 -43.46 14.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 110.278 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.511 ' HB3' ' CG ' ' A' ' 44' ' ' HIS . . . -84.05 -58.1 2.91 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.526 1.141 . . . . 0.0 109.276 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -41.77 -46.4 3.85 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.31 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.456 HG21 ' CG2' ' A' ' 48' ' ' ILE . 14.0 t -59.86 -45.72 94.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.455 1.097 . . . . 0.0 109.279 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.444 ' N ' ' O ' ' A' ' 50' ' ' ALA . 2.9 mm-40 . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 110.327 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 12.7 p . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 110.373 -0.232 . . . . 0.0 110.373 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 22.5 mp0 -38.41 -57.48 1.13 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.544 1.152 . . . . 0.0 110.312 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -45.64 -59.95 2.47 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.537 1.148 . . . . 0.0 110.332 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.517 ' NE2' ' CE2' ' A' ' 46' ' ' TRP . 73.6 mt-30 -58.54 -59.73 4.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 110.309 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 18.0 m -42.08 -60.64 1.36 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.143 . . . . 0.0 110.398 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -48.64 -60.43 2.72 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.556 1.16 . . . . 0.0 110.3 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.4 mttm -40.23 -48.94 2.67 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.53 1.144 . . . . 0.0 109.321 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.47 ' CD2' ' HB3' ' A' ' 37' ' ' CYS . 2.5 mt -50.84 -60.24 3.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 109.339 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.407 ' N ' HD21 ' A' ' 23' ' ' LEU . 4.7 mt -40.46 -51.33 2.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.322 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 4.2 mm100 -52.94 -67.97 0.21 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.494 1.121 . . . . 0.0 110.303 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.565 ' CZ ' HG23 ' A' ' 29' ' ' THR . 60.8 t80 -49.5 -51.9 33.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 111.017 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 4.9 tt0 -52.2 -38.65 58.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 110.319 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -72.91 -49.63 28.51 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 109.264 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.8 mt -57.2 -64.26 0.94 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.514 1.134 . . . . 0.0 109.327 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.565 HG23 ' CZ ' ' A' ' 25' ' ' PHE . 67.4 p -59.71 -69.27 0.22 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.449 1.093 . . . . 0.0 110.403 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 108.99 24.96 5.81 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.496 1.122 . . . . 0.0 110.985 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 20.7 mt -75.83 134.69 28.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.505 0.767 . . . . 0.0 109.271 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -74.19 -60.86 2.07 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 110.255 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 19.9 m -64.58 111.65 2.81 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.553 1.158 . . . . 0.0 110.01 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -55.64 -38.76 69.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.143 . . . . 0.0 110.973 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -50.43 -49.26 55.35 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.142 . . . . 0.0 109.283 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 14.6 mt-30 -53.54 -42.83 67.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 110.346 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.47 ' HB3' ' CD2' ' A' ' 22' ' ' LEU . 1.8 m -61.42 -73.44 0.1 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.454 1.096 . . . . 0.0 108.312 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 6.7 ttp180 -38.73 -33.48 0.11 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.132 . . . . 0.0 110.271 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 9.2 t-160 -59.29 -70.12 0.17 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.595 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.528 HG21 ' CZ ' ' A' ' 25' ' ' PHE . 1.4 m -46.21 -36.15 5.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 110.423 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.415 ' O ' ' N ' ' A' ' 45' ' ' ASN . 12.5 mt -71.12 -70.21 0.32 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.467 1.104 . . . . 0.0 109.25 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -38.36 -47.42 1.23 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.541 1.15 . . . . 0.0 110.317 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -50.41 -64.08 0.92 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.479 1.112 . . . . 0.0 110.336 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.543 ' O ' ' CB ' ' A' ' 45' ' ' ASN . 4.4 m-70 -68.81 -9.59 52.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.133 . . . . 0.0 109.604 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . 0.543 ' CB ' ' O ' ' A' ' 44' ' ' HIS . 4.4 m120 85.34 60.69 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 0.0 109.286 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . 0.517 ' CE2' ' NE2' ' A' ' 18' ' ' GLN . 81.3 m95 42.91 62.19 1.87 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 107.995 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . 0.44 ' O ' ' N ' ' A' ' 50' ' ' ALA . 2.6 m-20 -128.61 75.74 1.66 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 109.276 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.439 ' CG2' HG22 ' A' ' 52' ' ' VAL . 11.2 mt -39.87 -48.81 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.454 1.096 . . . . 0.0 109.274 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -47.37 -45.76 25.29 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.547 1.154 . . . . 0.0 110.308 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.498 ' HB1' ' CG ' ' A' ' 44' ' ' HIS . . . -83.39 -57.08 3.4 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.442 1.088 . . . . 0.0 109.285 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.523 ' HB2' ' CE1' ' A' ' 25' ' ' PHE . . . -42.27 -46.14 4.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.45 1.094 . . . . 0.0 109.294 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.439 HG22 ' CG2' ' A' ' 48' ' ' ILE . 22.4 t -55.5 -45.54 78.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.538 1.149 . . . . 0.0 109.337 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.445 ' N ' ' O ' ' A' ' 50' ' ' ALA . 70.4 mm-40 . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 110.308 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 43.6 p . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 110.373 -0.232 . . . . 0.0 110.373 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -43.72 -56.77 3.58 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.533 1.146 . . . . 0.0 110.318 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -42.03 -64.54 0.57 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.535 1.147 . . . . 0.0 110.296 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 86.7 mt-30 -50.83 -59.17 4.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 110.328 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.401 ' O ' ' C ' ' A' ' 20' ' ' GLU . 5.2 m -41.87 -65.51 0.44 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 110.392 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.401 ' C ' ' O ' ' A' ' 19' ' ' THR . 2.9 tt0 -39.0 -61.99 0.68 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.443 1.09 . . . . 0.0 110.3 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 7.1 mttt -41.68 -60.03 1.47 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.439 1.087 . . . . 0.0 109.318 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.467 ' CD2' ' HB3' ' A' ' 37' ' ' CYS . 1.1 mt -41.57 -54.15 3.28 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.488 1.118 . . . . 0.0 109.304 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.407 ' N ' HD23 ' A' ' 23' ' ' LEU . 5.8 mt -44.47 -63.42 0.9 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 0.0 109.291 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -45.56 -63.88 0.85 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 110.249 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.567 ' CZ ' HG22 ' A' ' 29' ' ' THR . 80.6 t80 -45.04 -59.75 2.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 111.02 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.442 ' O ' ' N ' ' A' ' 30' ' ' GLY . 1.0 OUTLIER -42.94 -59.15 2.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 0.0 110.298 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -51.9 -42.04 62.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 109.332 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 3.3 mt -63.94 -62.95 1.31 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 109.341 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.567 HG22 ' CZ ' ' A' ' 25' ' ' PHE . 74.6 p -62.71 -76.32 0.06 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.537 1.148 . . . . 0.0 110.395 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.442 ' N ' ' O ' ' A' ' 26' ' ' GLN . . . 116.59 14.01 7.72 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.463 1.102 . . . . 0.0 111.038 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 16.1 mt -67.8 135.81 27.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.428 0.723 . . . . 0.0 109.295 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -76.01 -61.0 2.08 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.543 1.152 . . . . 0.0 110.264 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -60.97 103.32 0.26 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.553 1.158 . . . . 0.0 110.055 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -47.19 -49.31 23.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 111.027 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -42.87 -55.97 3.46 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.46 1.1 . . . . 0.0 109.279 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 6.6 mt-30 -45.38 -42.82 10.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 110.331 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.467 ' HB3' ' CD2' ' A' ' 22' ' ' LEU . 1.3 m -65.71 -73.79 0.12 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.145 . . . . 0.0 108.264 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.423 ' HG3' ' CZ2' ' A' ' 46' ' ' TRP . 22.1 ttt180 -40.77 -29.97 0.11 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.135 . . . . 0.0 110.284 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.412 ' N ' ' C ' ' A' ' 37' ' ' CYS . 5.8 t60 -65.93 -55.38 17.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 109.616 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.483 HG23 ' CZ ' ' A' ' 25' ' ' PHE . 1.0 OUTLIER -60.75 -18.21 53.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 110.413 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.453 ' O ' ' N ' ' A' ' 44' ' ' HIS . 9.3 mt -91.27 -65.01 1.05 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.101 . . . . 0.0 109.297 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -42.26 -42.54 3.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 110.29 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . 0.41 ' HG3' ' N ' ' A' ' 44' ' ' HIS . 11.3 pt20 -57.53 -41.26 80.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 110.265 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.575 ' O ' ' CB ' ' A' ' 45' ' ' ASN . 54.6 m-70 -87.87 -9.45 53.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 109.614 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . 0.575 ' CB ' ' O ' ' A' ' 44' ' ' HIS . 20.2 t30 88.04 36.38 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 109.295 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . 0.423 ' CZ2' ' HG3' ' A' ' 38' ' ' ARG . 88.4 m95 65.84 52.19 1.3 Allowed 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . 0.448 ' O ' ' N ' ' A' ' 50' ' ' ALA . 1.2 m-20 -116.7 81.98 1.72 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.565 1.166 . . . . 0.0 109.265 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.441 HG23 ' CG2' ' A' ' 52' ' ' VAL . 43.4 mt -43.18 -46.93 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.112 . . . . 0.0 109.316 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -49.01 -38.71 24.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.546 1.154 . . . . 0.0 110.326 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.495 ' CB ' ' ND1' ' A' ' 44' ' ' HIS . . . -89.46 -56.07 3.4 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 109.279 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.448 ' HB2' ' CE1' ' A' ' 25' ' ' PHE . . . -45.55 -45.84 13.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 109.29 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.441 ' CG2' HG23 ' A' ' 48' ' ' ILE . 37.6 t -54.54 -37.89 40.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.546 1.154 . . . . 0.0 109.326 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.446 ' N ' ' O ' ' A' ' 50' ' ' ALA . 11.1 tp60 . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 110.311 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 65.8 p . . . . . 0 N--CA 1.454 -0.271 0 N-CA-C 110.382 -0.229 . . . . 0.0 110.382 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 30.2 mt-30 -39.14 -59.47 1.01 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.546 1.154 . . . . 0.0 110.281 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -43.32 -61.77 1.25 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 110.297 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 75.6 mt-30 -49.45 -59.78 3.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.55 1.156 . . . . 0.0 110.295 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 19.4 m -41.05 -64.93 0.48 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.477 1.111 . . . . 0.0 110.429 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -39.56 -58.42 1.29 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 110.279 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 15.2 mttp -43.39 -59.68 2.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 0.0 109.293 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.468 ' CD2' ' HB3' ' A' ' 37' ' ' CYS . 1.3 mt -41.68 -54.3 3.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 109.3 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.411 ' N ' HD23 ' A' ' 23' ' ' LEU . 5.7 mt -44.55 -63.38 0.91 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 109.265 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -45.03 -67.54 0.28 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.501 1.125 . . . . 0.0 110.301 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.47 ' CZ ' HG22 ' A' ' 40' ' ' THR . 88.5 t80 -46.69 -45.17 19.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 110.967 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 -59.46 -45.73 90.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.456 1.098 . . . . 0.0 110.298 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -63.21 -41.64 99.18 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.556 1.16 . . . . 0.0 109.283 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.3 mt -66.0 -58.18 6.1 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 0.0 109.306 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 41.3 p -63.41 -73.12 0.12 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 110.442 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 110.67 21.41 6.82 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.48 1.112 . . . . 0.0 111.022 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 35.1 mt -74.8 128.68 36.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.484 0.755 . . . . 0.0 109.301 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -71.95 -39.15 69.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 110.31 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 5.5 m -80.01 107.41 12.77 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.461 1.101 . . . . 0.0 110.009 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.56 -52.8 60.95 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.143 . . . . 0.0 111.025 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -44.22 -52.06 7.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 0.0 109.351 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 8.1 mm100 -48.28 -42.44 30.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 110.309 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.468 ' HB3' ' CD2' ' A' ' 22' ' ' LEU . 1.2 m -66.68 -73.12 0.14 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.484 1.115 . . . . 0.0 108.332 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 5.5 ttm180 -38.63 -33.48 0.11 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.436 1.085 . . . . 0.0 110.313 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -63.51 -54.66 32.87 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.538 1.149 . . . . 0.0 109.597 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.47 HG22 ' CZ ' ' A' ' 25' ' ' PHE . 1.0 OUTLIER -61.26 -16.67 47.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 110.412 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.452 ' O ' ' N ' ' A' ' 44' ' ' HIS . 8.8 mt -91.61 -62.34 1.45 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 109.319 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.421 ' HG2' ' NE1' ' A' ' 46' ' ' TRP . 0.4 OUTLIER -45.78 -41.53 10.97 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 110.287 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . 0.484 ' HG3' ' CD2' ' A' ' 44' ' ' HIS . 11.8 pt20 -57.97 -32.86 68.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 110.274 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.56 ' O ' ' CB ' ' A' ' 45' ' ' ASN . 61.0 m-70 -97.58 -9.53 26.8 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 109.609 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . 0.56 ' CB ' ' O ' ' A' ' 44' ' ' HIS . 16.5 t30 88.15 35.38 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.278 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . 0.421 ' NE1' ' HG2' ' A' ' 42' ' ' GLU . 88.6 m95 66.17 52.11 1.19 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.527 1.142 . . . . 0.0 107.993 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . 0.454 ' O ' ' N ' ' A' ' 50' ' ' ALA . 1.3 m-20 -115.96 81.63 1.63 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 0.0 109.272 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.412 HG21 ' CG2' ' A' ' 52' ' ' VAL . 43.9 mt -41.71 -46.89 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 0.0 109.335 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -48.94 -42.43 37.33 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 110.299 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.5 ' CB ' ' ND1' ' A' ' 44' ' ' HIS . . . -85.69 -55.01 4.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.47 1.106 . . . . 0.0 109.279 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.469 ' HB1' ' CE1' ' A' ' 25' ' ' PHE . . . -45.78 -48.5 15.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 109.283 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.412 ' CG2' HG21 ' A' ' 48' ' ' ILE . 41.9 t -56.66 -45.87 82.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.291 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 14.8 mm-40 . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 110.319 179.994 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 62.6 p . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 110.426 -0.212 . . . . 0.0 110.426 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -44.3 -60.64 1.83 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.532 1.145 . . . . 0.0 110.286 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -40.83 -64.39 0.54 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 110.309 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 61.7 mt-30 -51.25 -59.13 4.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 110.294 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 5.2 m -42.56 -60.94 1.35 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 110.432 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -39.03 -55.39 1.58 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.123 . . . . 0.0 110.282 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 4.9 mttp -47.25 -54.55 10.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 0.0 109.338 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.466 ' CD2' ' HB3' ' A' ' 37' ' ' CYS . 0.6 OUTLIER -46.49 -56.2 6.34 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.477 1.11 . . . . 0.0 109.333 179.965 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.421 ' N ' HD23 ' A' ' 23' ' ' LEU . 5.4 mt -41.78 -60.51 1.35 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 109.296 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -45.95 -63.23 1.03 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.131 . . . . 0.0 110.29 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.521 ' CE1' ' HB1' ' A' ' 51' ' ' ALA . 64.0 t80 -44.86 -58.07 3.35 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 110.995 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.4 ' O ' ' C ' ' A' ' 27' ' ' ASP . 37.0 tt0 -44.91 -69.55 0.13 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 110.316 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.4 ' C ' ' O ' ' A' ' 26' ' ' GLN . 6.6 t0 -40.27 -48.31 2.6 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.1 . . . . 0.0 109.287 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 3.1 mt -58.67 -80.61 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 109.33 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.51 HG23 ' CZ ' ' A' ' 25' ' ' PHE . 70.2 p -38.83 -56.7 1.33 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.531 1.145 . . . . 0.0 110.375 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 103.52 17.51 17.13 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.491 1.119 . . . . 0.0 111.017 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 15.9 mt -72.57 151.81 7.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.476 0.751 . . . . 0.0 109.323 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -100.42 -33.95 10.15 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.556 1.16 . . . . 0.0 110.324 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -91.44 92.3 8.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 110.006 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' MET . . . . . 0.457 ' SD ' ' CD2' ' A' ' 22' ' ' LEU . 43.4 tpp -56.0 -16.9 5.51 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.455 1.097 . . . . 0.0 110.959 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -66.73 -32.03 73.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 109.326 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -83.75 -27.64 28.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 110.293 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.466 ' HB3' ' CD2' ' A' ' 22' ' ' LEU . 1.1 m -65.54 -64.49 0.85 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 108.321 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 10.9 ttt180 -42.39 -31.9 0.47 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.538 1.148 . . . . 0.0 110.305 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.44 ' CD2' ' C ' ' A' ' 39' ' ' HIS . 1.2 t60 -66.28 -53.64 34.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.547 1.154 . . . . 0.0 109.584 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.404 HG21 ' CZ ' ' A' ' 25' ' ' PHE . 1.7 m -59.49 -25.99 64.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.546 1.154 . . . . 0.0 110.424 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 7.9 mt -84.45 -67.35 0.8 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.475 1.109 . . . . 0.0 109.309 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.421 ' HG2' ' NE1' ' A' ' 46' ' ' TRP . 1.6 mm-40 -39.38 -45.6 1.49 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 110.313 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -52.56 -58.99 5.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.105 . . . . 0.0 110.296 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.544 ' O ' ' CB ' ' A' ' 45' ' ' ASN . 12.0 m-70 -71.8 -9.57 58.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.093 . . . . 0.0 109.657 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . 0.544 ' CB ' ' O ' ' A' ' 44' ' ' HIS . 19.8 t30 87.04 56.64 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.473 1.108 . . . . 0.0 109.335 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . 0.421 ' NE1' ' HG2' ' A' ' 42' ' ' GLU . 82.3 m95 44.13 60.75 2.63 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.112 . . . . 0.0 108.01 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . 0.455 ' O ' ' N ' ' A' ' 50' ' ' ALA . 3.4 m-20 -125.92 80.72 1.93 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 109.273 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.408 ' C ' ' O ' ' A' ' 47' ' ' ASN . 45.9 mt -39.58 -50.96 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.294 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -45.99 -44.94 15.43 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 110.277 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.521 ' HB3' ' CG ' ' A' ' 44' ' ' HIS . . . -83.39 -57.26 3.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.304 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.521 ' HB1' ' CE1' ' A' ' 25' ' ' PHE . . . -42.15 -47.31 4.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 109.254 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 15.4 t -52.87 -45.35 50.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.149 . . . . 0.0 109.265 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.439 ' N ' ' O ' ' A' ' 50' ' ' ALA . 24.2 mm100 . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 0.0 110.329 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 65.5 p . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 110.398 -0.223 . . . . 0.0 110.398 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 31.0 mt-30 -47.91 -55.37 10.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 110.305 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -47.18 -61.63 1.8 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.127 . . . . 0.0 110.286 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.57 ' NE2' ' CE2' ' A' ' 46' ' ' TRP . 0.9 OUTLIER -52.66 -59.72 4.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 110.296 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.7 m -41.39 -63.36 0.71 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 110.429 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -41.51 -57.29 2.27 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.129 . . . . 0.0 110.286 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.9 mttp -45.01 -49.61 11.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.117 . . . . 0.0 109.304 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.474 ' CD2' ' HB3' ' A' ' 37' ' ' CYS . 1.1 mt -49.81 -57.61 7.02 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 109.304 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.415 ' N ' HD23 ' A' ' 23' ' ' LEU . 5.3 mt -41.82 -58.43 2.02 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 0.0 109.282 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -45.99 -69.37 0.13 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 110.305 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.53 ' CE1' ' HB1' ' A' ' 51' ' ' ALA . 87.5 t80 -44.42 -58.2 3.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.113 . . . . 0.0 111.044 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.435 ' O ' ' N ' ' A' ' 30' ' ' GLY . 38.8 tt0 -43.92 -69.17 0.14 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 110.292 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -41.89 -49.1 4.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 109.316 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.9 mt -58.79 -65.7 0.62 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.512 1.133 . . . . 0.0 109.305 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.473 HG23 ' CZ ' ' A' ' 25' ' ' PHE . 7.9 p -53.07 -72.36 0.06 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.545 1.153 . . . . 0.0 110.394 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.435 ' N ' ' O ' ' A' ' 26' ' ' GLN . . . 120.55 2.74 11.68 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.496 1.122 . . . . 0.0 110.956 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 21.5 mt -62.5 150.76 8.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.443 0.731 . . . . 0.0 109.3 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 15.8 tt0 -97.47 -54.15 3.23 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.564 1.165 . . . . 0.0 110.289 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.0 m -66.53 93.76 0.25 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.523 1.14 . . . . 0.0 109.994 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 1.4 mmt -37.99 -43.46 0.72 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 111.005 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 28.7 m-20 -47.06 -53.99 11.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.547 1.154 . . . . 0.0 109.28 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 15.1 mt-30 -49.89 -36.32 26.91 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.506 1.129 . . . . 0.0 110.295 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.474 ' HB3' ' CD2' ' A' ' 22' ' ' LEU . 1.7 m -72.25 -72.75 0.22 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 108.334 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.417 ' HG3' ' CZ2' ' A' ' 46' ' ' TRP . 7.2 ttt180 -38.68 -29.99 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 110.279 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.445 ' N ' ' O ' ' A' ' 37' ' ' CYS . 6.4 t60 -63.15 -66.93 0.47 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 109.622 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 1.2 m -50.3 -25.55 3.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.571 1.169 . . . . 0.0 110.419 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 13.6 mt -82.19 -69.07 0.65 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.482 1.114 . . . . 0.0 109.309 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -38.41 -47.67 1.27 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 110.294 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -50.52 -64.35 0.84 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 110.323 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.554 ' O ' ' CB ' ' A' ' 45' ' ' ASN . 3.5 m-70 -67.55 -9.39 42.23 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.501 1.125 . . . . 0.0 109.557 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . 0.554 ' CB ' ' O ' ' A' ' 44' ' ' HIS . 1.3 m-20 85.82 59.86 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.474 1.109 . . . . 0.0 109.291 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . 0.57 ' CE2' ' NE2' ' A' ' 18' ' ' GLN . 83.9 m95 43.52 62.82 1.75 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 108.012 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . 0.455 ' O ' ' N ' ' A' ' 50' ' ' ALA . 1.5 m-20 -127.63 78.55 1.83 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 109.297 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 39.9 mt -41.66 -47.95 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.436 1.085 . . . . 0.0 109.307 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -48.49 -41.31 29.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 110.261 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.534 ' HB3' ' CE1' ' A' ' 44' ' ' HIS . . . -86.67 -54.86 4.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 109.326 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.53 ' HB1' ' CE1' ' A' ' 25' ' ' PHE . . . -46.37 -49.75 17.4 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.554 1.159 . . . . 0.0 109.288 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 39.4 t -53.06 -32.87 19.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.522 1.139 . . . . 0.0 109.243 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.455 ' N ' ' O ' ' A' ' 50' ' ' ALA . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 110.286 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' THR . . . . . 0.404 ' O ' ' C ' ' A' ' 16' ' ' GLN . 72.4 p . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 110.392 -0.225 . . . . 0.0 110.392 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.404 ' C ' ' O ' ' A' ' 15' ' ' THR . 0.0 OUTLIER -38.78 -59.71 0.92 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 0.0 110.298 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -43.12 -60.64 1.58 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.139 . . . . 0.0 110.304 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 45.8 mt-30 -55.45 -62.72 1.49 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.443 1.09 . . . . 0.0 110.318 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 24.4 m -41.76 -59.06 1.78 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 110.377 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -43.1 -62.14 1.12 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 0.0 110.338 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.7 mttp -40.86 -47.98 3.02 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.448 1.092 . . . . 0.0 109.293 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.469 ' CD2' ' HB3' ' A' ' 37' ' ' CYS . 0.4 OUTLIER -50.57 -59.03 4.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.315 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.424 ' N ' HD22 ' A' ' 23' ' ' LEU . 4.6 mt -41.87 -56.17 2.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 109.308 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -46.51 -69.1 0.14 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 110.324 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.564 ' CZ ' HG22 ' A' ' 29' ' ' THR . 74.2 t80 -41.56 -60.73 1.23 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.472 1.107 . . . . 0.0 111.041 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.431 ' O ' ' N ' ' A' ' 30' ' ' GLY . 38.0 tt0 -40.67 -68.91 0.15 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.534 1.147 . . . . 0.0 110.326 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 11.1 t0 -43.02 -50.18 5.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 109.314 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 3.0 mt -58.01 -73.77 0.07 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.509 1.131 . . . . 0.0 109.298 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.564 HG22 ' CZ ' ' A' ' 25' ' ' PHE . 12.0 p -44.36 -64.24 0.72 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.517 1.136 . . . . 0.0 110.436 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.431 ' N ' ' O ' ' A' ' 26' ' ' GLN . . . 110.96 17.23 9.13 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.495 1.122 . . . . 0.0 111.056 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 32.5 mt -77.37 147.34 7.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.5 0.765 . . . . 0.0 109.328 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -87.49 -58.34 2.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 110.296 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 9.0 m -67.17 122.34 17.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 110.03 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' MET . . . . . 0.427 ' O ' ' N ' ' A' ' 37' ' ' CYS . 2.8 mmt -62.53 -47.24 84.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.546 1.154 . . . . 0.0 110.957 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 11.2 t0 -44.15 -52.25 7.45 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.552 1.158 . . . . 0.0 109.324 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 4.6 mm100 -52.78 -35.72 56.99 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.535 1.147 . . . . 0.0 110.351 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.469 ' HB3' ' CD2' ' A' ' 22' ' ' LEU . 1.7 m -72.51 -73.13 0.21 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.154 . . . . 0.0 108.3 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.408 ' C ' ' O ' ' A' ' 37' ' ' CYS . 0.4 OUTLIER -37.52 -31.91 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.565 1.166 . . . . 0.0 110.262 -179.978 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.447 ' N ' ' O ' ' A' ' 37' ' ' CYS . 13.2 t-160 -61.27 -64.21 1.03 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 0.0 109.597 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.543 HG21 ' CZ ' ' A' ' 25' ' ' PHE . 1.3 m -51.99 -30.32 24.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 110.376 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.401 ' O ' ' C ' ' A' ' 42' ' ' GLU . 11.9 mt -77.36 -69.12 0.55 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 0.0 109.315 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.401 ' C ' ' O ' ' A' ' 41' ' ' LEU . 2.1 mm-40 -38.17 -45.92 1.0 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 0.0 110.333 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -49.79 -65.29 0.59 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 110.289 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.573 ' O ' ' CB ' ' A' ' 45' ' ' ASN . 12.5 m-70 -67.56 -9.65 44.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.104 . . . . 0.0 109.592 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . 0.573 ' CB ' ' O ' ' A' ' 44' ' ' HIS . 21.9 t30 87.37 57.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.146 . . . . 0.0 109.317 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 82.4 m95 46.06 61.71 2.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 107.997 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . 0.456 ' O ' ' N ' ' A' ' 50' ' ' ALA . 2.9 m-20 -127.38 79.2 1.87 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.478 1.111 . . . . 0.0 109.253 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.443 ' CG2' HG21 ' A' ' 52' ' ' VAL . 29.3 mt -40.39 -48.39 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.543 1.152 . . . . 0.0 109.305 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -48.12 -43.98 31.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 110.309 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.512 ' HB2' ' CG ' ' A' ' 44' ' ' HIS . . . -84.26 -54.81 4.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.293 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.446 ' HB2' ' CE1' ' A' ' 25' ' ' PHE . . . -45.17 -49.26 12.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.53 1.143 . . . . 0.0 109.316 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.443 HG21 ' CG2' ' A' ' 48' ' ' ILE . 37.7 t -51.75 -36.47 18.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 109.277 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.445 ' N ' ' O ' ' A' ' 50' ' ' ALA . 12.4 tp60 . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.144 . . . . 0.0 110.318 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 19.7 p . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 110.383 -0.229 . . . . 0.0 110.383 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -39.45 -59.14 1.13 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 0.0 110.308 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 31.4 mt-10 -46.55 -67.59 0.27 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 110.309 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 58.0 mt-30 -39.76 -62.79 0.66 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.517 1.136 . . . . 0.0 110.281 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 8.5 m -41.37 -56.7 2.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.127 . . . . 0.0 110.418 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -46.06 -57.87 4.09 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.553 1.158 . . . . 0.0 110.304 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.4 mttt -44.43 -47.83 9.9 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.458 1.098 . . . . 0.0 109.267 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.468 ' CD2' ' HB3' ' A' ' 37' ' ' CYS . 0.2 OUTLIER -50.89 -57.28 8.88 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 109.26 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.421 ' N ' HD22 ' A' ' 23' ' ' LEU . 4.6 mt -43.62 -54.83 4.7 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.532 1.145 . . . . 0.0 109.311 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -49.62 -67.86 0.23 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.448 1.093 . . . . 0.0 110.308 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.556 ' CE1' ' HB2' ' A' ' 51' ' ' ALA . 34.7 t80 -41.46 -60.56 1.26 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 110.996 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.443 ' O ' ' N ' ' A' ' 30' ' ' GLY . 25.0 tt0 -47.8 -72.56 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.149 . . . . 0.0 110.297 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.407 ' C ' ' O ' ' A' ' 26' ' ' GLN . 0.4 OUTLIER -40.09 -47.25 2.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.247 -179.922 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 5.2 mt -60.67 -74.15 0.08 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.297 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.409 ' OG1' ' N ' ' A' ' 30' ' ' GLY . 69.8 p -48.1 -68.42 0.19 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 110.388 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 26' ' ' GLN . . . 116.85 13.53 7.82 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.533 1.146 . . . . 0.0 111.028 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.403 ' O ' ' C ' ' A' ' 32' ' ' GLU . 10.3 mt -71.95 96.95 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.536 0.786 . . . . 0.0 109.281 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.403 ' C ' ' O ' ' A' ' 31' ' ' ILE . 1.6 mt-10 -38.62 -62.68 0.58 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 110.338 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.8 m -54.99 131.77 45.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 109.945 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' MET . . . . . 0.404 ' O ' ' N ' ' A' ' 37' ' ' CYS . 1.7 tpt -75.94 -56.05 5.03 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.5 1.125 . . . . 0.0 110.965 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -48.11 -40.88 24.85 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 109.271 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 16.6 mm100 -57.79 -33.99 69.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.457 1.098 . . . . 0.0 110.313 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.468 ' HB3' ' CD2' ' A' ' 22' ' ' LEU . 0.8 OUTLIER -73.98 -73.84 0.21 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.113 . . . . 0.0 108.319 179.95 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.402 ' C ' ' O ' ' A' ' 37' ' ' CYS . 2.6 ttp180 -38.66 -38.75 0.43 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.542 1.151 . . . . 0.0 110.35 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 2.5 t60 -46.32 -60.6 2.23 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.444 1.09 . . . . 0.0 109.635 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 1.8 m -56.61 -61.03 2.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 110.42 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.464 HD13 ' CD2' ' A' ' 25' ' ' PHE . 8.2 mt -42.18 -64.91 0.52 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 109.317 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.401 ' C ' ' O ' ' A' ' 41' ' ' LEU . 0.0 OUTLIER -38.09 -52.9 1.42 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 110.308 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -55.9 -57.42 12.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.567 1.167 . . . . 0.0 110.286 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.56 ' O ' ' CB ' ' A' ' 45' ' ' ASN . 12.5 m-70 -62.76 -13.25 30.69 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.123 . . . . 0.0 109.593 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . 0.56 ' CB ' ' O ' ' A' ' 44' ' ' HIS . 27.0 t30 86.8 42.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 0.0 109.312 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 91.6 m95 57.28 55.34 5.94 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.111 . . . . 0.0 108.004 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . 0.437 ' O ' ' N ' ' A' ' 50' ' ' ALA . 1.0 OUTLIER -121.29 76.73 1.26 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 109.291 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.455 ' CG2' HG21 ' A' ' 52' ' ' VAL . 19.7 mt -39.34 -51.93 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 109.315 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -46.5 -46.33 19.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 110.3 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.437 ' N ' ' O ' ' A' ' 47' ' ' ASN . . . -79.49 -59.61 2.69 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.482 1.113 . . . . 0.0 109.288 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.556 ' HB2' ' CE1' ' A' ' 25' ' ' PHE . . . -41.41 -51.38 3.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 109.31 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.455 HG21 ' CG2' ' A' ' 48' ' ' ILE . 6.8 t -48.72 -55.34 3.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.293 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.462 1.101 . . . . 0.0 110.268 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.991 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -124.69 86.9 2.63 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.486 0.757 . . . . 0.0 109.998 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.5 m 44.01 85.24 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.559 1.162 . . . . 0.0 110.03 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -146.31 67.72 0.4 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.456 1.097 . . . . 0.0 111.01 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.2 t -119.18 106.02 11.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 0.774 . . . . 0.0 110.01 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 34.2 t -98.84 121.11 40.36 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 109.966 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 171.37 -155.66 24.73 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.47 1.106 . . . . 0.0 111.013 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -113.53 163.06 19.46 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.547 0.793 . . . . 0.0 109.323 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 60.31 5.43 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.533 1.807 . . . . 0.0 110.969 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -122.76 168.35 12.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 110.291 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -147.82 123.35 10.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.536 1.147 . . . . 0.0 110.273 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 25.5 mtt180 -121.07 107.1 12.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 110.297 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -106.51 133.69 50.8 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.546 1.154 . . . . 0.0 109.279 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 15.6 mt -90.5 173.88 7.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 109.26 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 16.9 p -99.98 157.83 16.25 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.127 . . . . 0.0 110.373 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -43.72 -61.42 1.42 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.562 1.164 . . . . 0.0 110.335 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 19.7 tt0 -43.73 -64.34 0.68 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.521 1.138 . . . . 0.0 110.265 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.483 ' NE2' ' CE2' ' A' ' 46' ' ' TRP . 69.0 mt-30 -47.96 -60.12 2.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.145 . . . . 0.0 110.329 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 7.7 m -39.67 -58.97 1.22 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 110.451 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -47.38 -55.63 8.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 110.285 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 16.0 mttp -44.77 -48.43 10.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.296 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.468 HD23 ' CD1' ' A' ' 41' ' ' LEU . 1.8 mt -51.49 -59.34 4.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 109.311 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.402 ' N ' HD22 ' A' ' 23' ' ' LEU . 5.0 mt -40.56 -52.9 2.8 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 0.0 109.279 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.93 -68.02 0.2 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 110.309 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.541 ' CE1' ' HB2' ' A' ' 51' ' ' ALA . 51.3 t80 -44.97 -57.33 3.88 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 111.033 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.431 ' O ' ' N ' ' A' ' 30' ' ' GLY . 1.1 tt0 -42.81 -58.54 2.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.105 . . . . 0.0 110.298 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -55.85 -55.13 36.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.132 . . . . 0.0 109.309 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 3.1 mt -50.28 -69.15 0.12 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 109.242 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.496 HG23 ' CZ ' ' A' ' 25' ' ' PHE . 29.5 p -53.61 -71.36 0.07 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 110.41 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.431 ' N ' ' O ' ' A' ' 26' ' ' GLN . . . 115.36 13.87 8.66 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.517 1.136 . . . . 0.0 110.981 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 12.5 mt -70.1 149.32 10.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.507 0.769 . . . . 0.0 109.328 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 15.6 tt0 -92.3 -57.9 2.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 110.306 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.8 m -60.22 100.07 0.09 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.541 1.151 . . . . 0.0 110.012 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -44.26 -48.44 9.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 0.0 110.996 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -48.21 -53.32 17.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 109.331 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 9.8 mm100 -47.67 -43.49 26.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 0.0 110.282 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.465 ' HB3' ' CD2' ' A' ' 22' ' ' LEU . 1.3 m -60.72 -73.58 0.09 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 108.305 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.505 ' HG3' ' CZ2' ' A' ' 46' ' ' TRP . 4.9 ttp180 -40.52 -34.72 0.38 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.455 1.097 . . . . 0.0 110.284 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 8.9 t-160 -53.95 -70.4 0.1 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.134 . . . . 0.0 109.594 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.413 HG21 ' CZ ' ' A' ' 25' ' ' PHE . 1.3 m -46.46 -33.85 4.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 0.0 110.419 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.468 ' CD1' HD23 ' A' ' 22' ' ' LEU . 7.9 mt -70.58 -68.38 0.43 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.12 . . . . 0.0 109.284 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.434 ' OE2' ' NE1' ' A' ' 46' ' ' TRP . 5.3 mm-40 -38.11 -50.62 1.39 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 110.288 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 1.3 mm-40 -50.26 -64.17 0.89 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.446 1.091 . . . . 0.0 110.337 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.558 ' CE1' ' HB1' ' A' ' 50' ' ' ALA . 3.7 m-70 -65.0 -11.83 43.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.579 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.538 ' CB ' ' O ' ' A' ' 44' ' ' HIS . 2.1 t-20 86.38 58.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.27 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . 0.505 ' CZ2' ' HG3' ' A' ' 38' ' ' ARG . 85.3 m95 43.93 58.74 3.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 107.985 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . 0.445 ' O ' ' N ' ' A' ' 50' ' ' ALA . 2.0 m-20 -124.92 75.92 1.48 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.108 . . . . 0.0 109.277 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 64.7 mt -40.4 -48.38 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 109.323 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -46.8 -44.27 19.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.151 . . . . 0.0 110.312 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.558 ' HB1' ' CE1' ' A' ' 44' ' ' HIS . . . -85.83 -57.13 3.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 109.279 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.541 ' HB2' ' CE1' ' A' ' 25' ' ' PHE . . . -42.34 -43.19 3.43 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 109.306 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 13.5 t -57.31 -50.9 75.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.512 1.133 . . . . 0.0 109.295 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -62.02 -53.13 59.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.538 1.149 . . . . 0.0 110.27 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.405 ' HB2' ' NE2' ' A' ' 44' ' ' HIS . 0.8 OUTLIER -57.78 -25.11 60.06 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.421 1.075 . . . . 0.0 109.263 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.402 ' HG2' ' CG2' ' A' ' 29' ' ' THR . 0.0 OUTLIER -77.44 -49.17 15.39 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.536 1.147 . . . . 0.0 110.294 -179.964 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.404 ' O ' ' C ' ' A' ' 57' ' ' ASN . 0.5 OUTLIER -71.47 -54.07 11.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.12 . . . . 0.0 109.273 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.404 ' C ' ' O ' ' A' ' 56' ' ' LEU . 14.5 m-20 -40.13 -52.91 2.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.149 . . . . 0.0 109.34 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -77.92 88.83 4.1 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 110.33 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 62.07 111.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 110.298 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -119.66 152.41 37.17 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 0.0 110.298 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -63.25 -64.05 4.07 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.472 1.108 . . . . 0.0 110.986 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 3.2 m -155.87 121.32 4.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 0.769 . . . . 0.0 109.975 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 106.86 96.0 2.44 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.462 1.101 . . . . 0.0 110.982 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -36.89 2.27 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.465 1.771 . . . . 0.0 111.014 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 53.7 p -138.5 154.68 48.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.454 1.096 . . . . 0.0 110.064 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 3.6 m -131.99 167.76 19.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.996 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 O-C-N 124.49 1.119 . . . . 0.0 111.033 -179.973 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 N-CA-C 111.026 -0.829 . . . . 0.0 111.026 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 37.0 t -154.09 121.63 5.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 0.768 . . . . 0.0 110.001 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -172.44 158.91 4.42 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.469 1.105 . . . . 0.0 109.999 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -158.22 134.63 3.94 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.517 1.136 . . . . 0.0 110.996 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 70.7 p -152.93 111.47 3.71 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.48 0.753 . . . . 0.0 110.006 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.402 ' O ' ' C ' ' A' ' 7' ' ' GLY . 1.4 t -149.04 157.65 43.57 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.491 1.119 . . . . 0.0 109.966 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.402 ' C ' ' O ' ' A' ' 6' ' ' SER . . . -37.77 112.68 0.19 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.494 1.121 . . . . 0.0 111.023 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -163.74 92.87 1.09 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.515 0.773 . . . . 0.0 109.276 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 63.33 5.98 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.523 1.801 . . . . 0.0 110.974 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -172.66 141.0 1.06 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.437 1.085 . . . . 0.0 110.266 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -155.93 140.29 16.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 0.0 110.33 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.08 146.89 23.99 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 0.0 110.285 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 29.4 m-20 -130.69 146.89 52.28 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.524 1.14 . . . . 0.0 109.276 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 31.9 mt -112.63 171.22 7.66 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.45 1.094 . . . . 0.0 109.31 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 34.9 p -115.0 152.52 32.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 110.398 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -39.08 -56.62 1.41 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 0.0 110.32 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -44.92 -59.93 2.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 110.297 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 72.3 mt-30 -49.21 -59.48 3.63 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 110.273 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 5.7 m -39.16 -59.46 1.01 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 0.0 110.412 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -45.23 -60.56 2.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.455 1.097 . . . . 0.0 110.334 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 7.8 mttm -40.43 -49.61 2.85 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 1.139 . . . . 0.0 109.305 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.469 ' CD1' ' HE1' ' A' ' 34' ' ' MET . 1.7 mt -50.38 -60.14 3.29 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 109.331 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.411 ' N ' HD23 ' A' ' 23' ' ' LEU . 4.9 mt -40.33 -51.94 2.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.152 . . . . 0.0 109.303 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -51.63 -67.91 0.21 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 110.286 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.559 ' CE1' ' HB3' ' A' ' 51' ' ' ALA . 70.2 t80 -49.39 -44.46 45.04 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.531 1.145 . . . . 0.0 111.004 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 -54.95 -42.63 72.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 110.337 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -70.73 -51.6 26.25 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.504 1.127 . . . . 0.0 109.315 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.7 mt -50.92 -68.59 0.16 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.45 1.094 . . . . 0.0 109.274 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.468 ' CG2' ' HG2' ' A' ' 55' ' ' ARG . 70.0 p -57.63 -70.2 0.14 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.107 . . . . 0.0 110.369 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 113.58 21.3 5.82 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.46 1.1 . . . . 0.0 110.988 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 12.5 mt -73.94 156.1 6.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.491 0.759 . . . . 0.0 109.315 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -101.34 -51.7 3.42 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.485 1.116 . . . . 0.0 110.318 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 20.1 m -65.9 98.95 0.44 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.44 1.087 . . . . 0.0 109.966 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' MET . . . . . 0.469 ' HE1' ' CD1' ' A' ' 22' ' ' LEU . 0.0 OUTLIER -44.32 -40.92 5.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 111.004 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -54.22 -50.25 67.57 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 0.0 109.292 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 12.3 mm100 -51.81 -39.77 59.32 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.133 . . . . 0.0 110.335 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.46 ' HB3' ' CD2' ' A' ' 22' ' ' LEU . 1.7 m -66.71 -73.72 0.13 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.555 1.16 . . . . 0.0 108.334 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -38.73 -34.3 0.14 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 110.299 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 3.5 t60 -59.0 -64.59 0.89 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.448 1.093 . . . . 0.0 109.611 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.51 HG23 ' CZ ' ' A' ' 25' ' ' PHE . 1.6 m -50.85 -37.21 41.85 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 110.367 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 9.0 mt -70.09 -69.19 0.37 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.45 1.094 . . . . 0.0 109.285 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.439 ' OE2' ' NE1' ' A' ' 46' ' ' TRP . 7.4 mm-40 -38.77 -46.33 1.25 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.544 1.152 . . . . 0.0 110.305 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.07 -64.64 0.75 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 110.307 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.56 ' O ' ' CB ' ' A' ' 45' ' ' ASN . 14.5 m-70 -68.28 -9.71 49.53 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.457 1.098 . . . . 0.0 109.583 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.56 ' CB ' ' O ' ' A' ' 44' ' ' HIS . 1.5 t30 86.55 58.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 0.0 109.335 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . 0.439 ' NE1' ' OE2' ' A' ' 42' ' ' GLU . 83.3 m95 45.25 59.82 3.33 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.515 1.134 . . . . 0.0 108.002 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . 0.449 ' O ' ' N ' ' A' ' 50' ' ' ALA . 1.1 m120 -126.67 78.07 1.76 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.291 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.4 ' C ' ' O ' ' A' ' 47' ' ' ASN . 63.1 mt -40.25 -49.13 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.108 . . . . 0.0 109.288 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -46.7 -44.45 18.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 110.279 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.513 ' HB1' ' CG ' ' A' ' 44' ' ' HIS . . . -84.97 -57.53 3.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 0.0 109.298 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.559 ' HB3' ' CE1' ' A' ' 25' ' ' PHE . . . -42.2 -45.36 4.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 109.322 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 13.3 t -54.83 -47.74 74.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.261 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.418 ' N ' ' O ' ' A' ' 50' ' ' ALA . 2.4 mm-40 -63.73 -58.02 8.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 110.284 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.457 ' HB2' ' CD2' ' A' ' 44' ' ' HIS . 0.5 OUTLIER -54.28 -20.61 7.4 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.146 . . . . 0.0 109.324 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.468 ' HG2' ' CG2' ' A' ' 29' ' ' THR . 7.1 tpt180 -82.65 -49.63 9.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 110.33 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -72.44 -54.67 8.66 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.442 1.089 . . . . 0.0 109.247 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.515 ' O ' ' CB ' ' A' ' 58' ' ' GLU . 8.9 m-80 -45.26 -59.94 2.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.31 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.515 ' CB ' ' O ' ' A' ' 57' ' ' ASN . 14.6 tt0 87.6 -41.22 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 110.297 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -77.18 108.88 10.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 110.283 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -85.59 119.89 26.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 110.355 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 91.6 -169.8 33.14 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.526 1.141 . . . . 0.0 110.988 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -104.73 -60.82 1.54 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 0.761 . . . . 0.0 110.015 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -130.14 -85.48 0.39 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.422 1.076 . . . . 0.0 110.993 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 87.78 1.3 Allowed 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.52 1.8 . . . . 0.0 110.987 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -111.7 143.18 43.03 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.113 . . . . 0.0 110.018 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 2.3 t -130.64 159.74 36.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.441 1.088 . . . . 0.0 110.042 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.026 0 O-C-N 124.548 1.155 . . . . 0.0 111.006 179.994 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.6 m 63.74 156.28 0.07 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.497 0.763 . . . . 0.0 109.963 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.7 t -141.68 164.29 30.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 110.039 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 85.88 85.75 1.03 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.514 1.134 . . . . 0.0 111.006 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.6 m -58.34 160.33 5.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 0.764 . . . . 0.0 110.011 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.1 m -70.71 149.18 47.2 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.578 1.174 . . . . 0.0 110.043 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -158.15 63.5 0.31 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.457 1.098 . . . . 0.0 111.015 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -174.14 92.59 0.33 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.483 0.755 . . . . 0.0 109.33 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 60.15 5.35 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.475 1.776 . . . . 0.0 110.988 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -136.67 130.55 32.32 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.557 1.161 . . . . 0.0 110.305 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -94.83 61.17 2.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 110.284 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -121.62 133.56 54.99 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 110.32 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 60.59 163.05 0.06 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.455 1.097 . . . . 0.0 109.295 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 18.3 mt -101.18 173.19 6.57 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.533 1.146 . . . . 0.0 109.3 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 74.1 p -107.31 160.39 15.65 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.482 1.114 . . . . 0.0 110.411 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.3 tp60 -47.47 -60.43 2.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 110.299 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 -42.47 -62.16 1.04 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 0.0 110.278 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 12.9 mm-40 -48.35 -59.38 3.5 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.453 1.096 . . . . 0.0 110.302 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 23.5 m -42.56 -59.85 1.74 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 110.402 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -41.34 -59.11 1.64 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.546 1.153 . . . . 0.0 110.316 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -43.7 -47.03 7.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 109.252 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.48 ' CD2' ' HB3' ' A' ' 37' ' ' CYS . 1.1 mt -52.97 -59.44 4.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.137 . . . . 0.0 109.318 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.406 ' N ' HD22 ' A' ' 23' ' ' LEU . 5.0 mt -40.13 -52.49 2.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 109.308 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 2.7 mm-40 -50.29 -67.88 0.22 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.479 1.112 . . . . 0.0 110.291 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.57 ' CZ ' HG23 ' A' ' 29' ' ' THR . 69.5 t80 -46.28 -60.19 2.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.553 1.158 . . . . 0.0 110.991 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.449 ' O ' ' N ' ' A' ' 30' ' ' GLY . 0.7 OUTLIER -40.95 -58.41 1.72 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.13 . . . . 0.0 110.264 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -55.43 -53.72 52.71 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 109.28 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 3.6 mt -52.35 -67.85 0.22 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.142 . . . . 0.0 109.281 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.57 HG23 ' CZ ' ' A' ' 25' ' ' PHE . 34.5 p -54.47 -71.4 0.08 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 110.411 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 26' ' ' GLN . . . 112.77 10.66 16.0 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.496 1.123 . . . . 0.0 111.057 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 21.7 mt -61.97 153.71 5.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.513 0.772 . . . . 0.0 109.316 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 16.4 tt0 -99.54 -56.72 2.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 110.316 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.415 ' O ' ' N ' ' A' ' 36' ' ' GLN . 0.3 OUTLIER -62.86 90.8 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.996 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' MET . . . . . 0.477 ' CE ' HD22 ' A' ' 22' ' ' LEU . 0.0 OUTLIER -38.01 -45.39 0.89 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 0.0 111.026 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -44.25 -47.08 9.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.128 . . . . 0.0 109.247 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.415 ' N ' ' O ' ' A' ' 33' ' ' SER . 64.5 mt-30 -56.85 -47.51 80.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 110.311 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.48 ' HB3' ' CD2' ' A' ' 22' ' ' LEU . 6.1 m -51.83 -73.98 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 108.298 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -41.0 -38.58 1.0 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.491 1.12 . . . . 0.0 110.338 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 7.3 t-160 -54.84 -71.94 0.07 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.461 1.101 . . . . 0.0 109.576 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.569 HG21 ' CZ ' ' A' ' 25' ' ' PHE . 1.4 m -42.39 -46.13 4.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.107 . . . . 0.0 110.428 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.4 ' O ' ' C ' ' A' ' 42' ' ' GLU . 16.6 mt -62.82 -72.01 0.15 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.477 1.111 . . . . 0.0 109.284 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.4 ' C ' ' O ' ' A' ' 41' ' ' LEU . 1.8 mm-40 -38.03 -44.89 0.85 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 110.343 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 1.5 mm-40 -50.68 -62.57 1.52 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 110.323 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.576 ' O ' ' CB ' ' A' ' 45' ' ' ASN . 12.6 m-70 -71.37 -9.6 58.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.598 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.576 ' CB ' ' O ' ' A' ' 44' ' ' HIS . 11.3 t-20 87.7 57.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.117 . . . . 0.0 109.332 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 85.0 m95 46.72 56.72 6.25 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.515 1.135 . . . . 0.0 108.001 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . 0.441 ' O ' ' N ' ' A' ' 50' ' ' ALA . 2.2 m-20 -123.56 78.0 1.55 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.12 . . . . 0.0 109.291 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.426 ' CG2' HG22 ' A' ' 52' ' ' VAL . 56.2 mt -39.49 -52.1 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.554 1.159 . . . . 0.0 109.301 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -45.44 -45.25 12.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.457 1.098 . . . . 0.0 110.268 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.515 ' HB3' ' CG ' ' A' ' 44' ' ' HIS . . . -82.56 -58.48 2.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.283 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.567 ' HB1' ' CE1' ' A' ' 25' ' ' PHE . . . -41.55 -49.21 4.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.452 1.095 . . . . 0.0 109.285 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.426 HG22 ' CG2' ' A' ' 48' ' ' ILE . 5.9 t -51.88 -46.14 40.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.521 1.138 . . . . 0.0 109.274 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.434 ' N ' ' O ' ' A' ' 50' ' ' ALA . 10.6 mm-40 -62.4 -58.02 9.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 110.328 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.409 ' HB2' ' NE2' ' A' ' 44' ' ' HIS . 25.8 t70 -55.69 -21.88 20.56 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.459 1.1 . . . . 0.0 109.317 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.466 ' HG2' ' CG2' ' A' ' 29' ' ' THR . 8.6 tpt180 -80.81 -51.61 8.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 110.295 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -69.96 -52.44 24.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 109.343 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 25.4 m-20 -47.35 -52.92 15.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.284 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 40.42 70.49 0.24 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.13 . . . . 0.0 110.32 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -161.91 94.53 0.94 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 110.302 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -74.55 129.51 37.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.108 . . . . 0.0 110.31 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -159.29 -157.96 8.84 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.531 1.144 . . . . 0.0 110.995 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 60.6 p -172.94 142.81 1.13 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.535 0.785 . . . . 0.0 110.039 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 103.11 157.23 25.12 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.519 1.137 . . . . 0.0 110.978 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 153.77 42.07 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.475 1.776 . . . . 0.0 110.991 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 54.0 p -76.74 77.85 3.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.544 1.153 . . . . 0.0 110.013 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -70.51 -59.74 2.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 110.021 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.033 0 O-C-N 124.494 1.121 . . . . 0.0 110.972 -179.988 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 27.4 m -143.1 128.79 19.25 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 0.764 . . . . 0.0 109.988 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 50.4 m 62.29 135.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.11 . . . . 0.0 110.019 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -85.64 -151.35 16.09 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.519 1.137 . . . . 0.0 110.975 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 45.5 t -130.43 136.79 49.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 0.772 . . . . 0.0 110.003 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 34.9 m 61.58 104.16 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.129 . . . . 0.0 109.999 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -140.73 77.34 0.31 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.52 1.137 . . . . 0.0 110.979 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -169.2 153.95 5.69 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.539 0.787 . . . . 0.0 109.338 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 55.91 4.09 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.538 1.809 . . . . 0.0 111.017 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 55.26 170.2 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.445 1.09 . . . . 0.0 110.257 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -112.93 132.92 55.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.455 1.097 . . . . 0.0 110.299 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 4.7 ttt180 -87.4 122.56 31.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 110.296 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -78.44 139.45 38.73 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.486 1.116 . . . . 0.0 109.318 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 21.1 mt -105.09 173.8 6.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.14 . . . . 0.0 109.312 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 69.2 p -104.74 159.54 15.7 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 110.381 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -47.01 -58.43 3.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 0.0 110.294 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -43.35 -62.99 0.9 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 0.0 110.278 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 54.0 mt-30 -47.92 -60.89 2.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.457 1.098 . . . . 0.0 110.328 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.7 m -39.53 -60.82 0.89 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.446 1.091 . . . . 0.0 110.4 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -41.65 -61.12 1.15 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.493 1.121 . . . . 0.0 110.307 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 8.0 mttp -40.95 -50.27 3.27 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.114 . . . . 0.0 109.312 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.47 ' CD2' ' HB3' ' A' ' 37' ' ' CYS . 1.1 mt -49.5 -59.29 3.88 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.149 . . . . 0.0 109.293 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.412 ' N ' HD23 ' A' ' 23' ' ' LEU . 5.1 mt -40.79 -54.72 2.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 109.313 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 3.9 mm-40 -50.19 -67.95 0.21 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 0.0 110.303 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.568 ' CZ ' HG23 ' A' ' 29' ' ' THR . 72.4 t80 -46.46 -46.43 18.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 111.063 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 6.1 tt0 -54.06 -44.31 70.98 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.11 . . . . 0.0 110.335 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -68.87 -47.23 66.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 109.3 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.9 mt -57.0 -66.54 0.43 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.122 . . . . 0.0 109.322 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.568 HG23 ' CZ ' ' A' ' 25' ' ' PHE . 60.9 p -57.61 -69.0 0.18 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.428 1.08 . . . . 0.0 110.369 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 110.26 23.01 6.23 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.482 1.114 . . . . 0.0 111.032 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 14.5 mt -77.89 153.5 5.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.478 0.752 . . . . 0.0 109.31 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -96.64 -55.96 2.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 110.295 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.9 m -62.72 97.03 0.09 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 109.965 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -41.33 -50.33 3.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 111.004 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -45.4 -53.3 8.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.149 . . . . 0.0 109.305 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 10.2 mm100 -48.34 -40.82 26.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 110.292 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.47 ' HB3' ' CD2' ' A' ' 22' ' ' LEU . 1.3 m -66.42 -73.38 0.13 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 108.301 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.4 ' C ' ' O ' ' A' ' 37' ' ' CYS . 18.1 ttp180 -38.64 -35.38 0.19 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 110.273 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 3.9 t60 -57.32 -64.27 0.94 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 109.62 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.465 HG21 ' CZ ' ' A' ' 25' ' ' PHE . 2.3 m -50.01 -41.45 47.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 110.385 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.438 ' CD1' HD23 ' A' ' 22' ' ' LEU . 7.6 mt -66.54 -69.74 0.29 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.134 . . . . 0.0 109.33 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -38.93 -46.1 1.27 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.448 1.092 . . . . 0.0 110.289 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -50.85 -63.36 1.15 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.125 . . . . 0.0 110.243 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.565 ' O ' ' CB ' ' A' ' 45' ' ' ASN . 9.5 m-70 -68.96 -9.6 52.98 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 109.6 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.565 ' CB ' ' O ' ' A' ' 44' ' ' HIS . 11.2 t-20 87.02 58.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.302 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 85.0 m95 44.53 60.89 2.65 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 108.023 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . 0.453 ' O ' ' N ' ' A' ' 50' ' ' ALA . 2.4 m-20 -128.57 78.36 1.84 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.478 1.111 . . . . 0.0 109.303 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.406 ' O ' ' CG2' ' A' ' 52' ' ' VAL . 43.7 mt -40.43 -48.18 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 0.0 109.347 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -47.4 -44.18 24.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 110.286 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.512 ' HB1' ' CG ' ' A' ' 44' ' ' HIS . . . -85.68 -57.19 3.15 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.476 1.11 . . . . 0.0 109.322 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.506 ' HB2' ' CE1' ' A' ' 25' ' ' PHE . . . -42.95 -43.94 4.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.557 1.161 . . . . 0.0 109.304 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.406 ' CG2' ' O ' ' A' ' 48' ' ' ILE . 24.9 t -56.78 -51.31 68.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 0.0 109.289 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -59.82 -56.1 26.0 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.452 1.095 . . . . 0.0 110.258 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.411 ' HB2' ' NE2' ' A' ' 44' ' ' HIS . 4.2 t70 -58.15 -24.53 59.24 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.128 . . . . 0.0 109.315 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.481 ' HG2' ' CG2' ' A' ' 29' ' ' THR . 37.4 tpt85 -77.39 -53.65 7.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 110.316 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -68.28 -51.37 45.72 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.558 1.161 . . . . 0.0 109.314 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 50.8 m-20 -43.36 -62.83 0.95 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 109.365 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -51.92 106.12 0.14 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.465 1.103 . . . . 0.0 110.256 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 62.43 150.69 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 110.272 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 60.52 163.36 0.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.559 1.162 . . . . 0.0 110.283 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -123.76 -167.71 12.83 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.485 1.116 . . . . 0.0 111.061 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 88.3 p -75.08 137.86 41.73 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.523 0.778 . . . . 0.0 109.991 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -69.77 157.31 53.51 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.504 1.128 . . . . 0.0 111.007 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -53.9 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.486 1.782 . . . . 0.0 110.993 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.2 m 65.12 127.86 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 109.988 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -72.11 116.96 13.15 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 110.001 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.025 0 O-C-N 124.483 1.115 . . . . 0.0 111.001 -179.974 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.027 0 N-CA-C 110.969 -0.853 . . . . 0.0 110.969 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 43.04 84.91 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.494 0.761 . . . . 0.0 110.021 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -168.97 146.41 3.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.429 1.08 . . . . 0.0 110.031 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -178.5 157.7 21.68 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.533 1.146 . . . . 0.0 110.994 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 53.81 96.35 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 0.755 . . . . 0.0 109.952 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.3 t -172.93 143.04 1.15 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.106 . . . . 0.0 110.011 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 127.95 -119.59 3.19 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.496 1.122 . . . . 0.0 110.964 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 65.83 163.3 0.12 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.493 0.76 . . . . 0.0 109.28 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 72.82 4.54 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.52 1.8 . . . . 0.0 111.015 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -102.36 137.0 41.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 110.31 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -152.76 58.52 0.8 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 110.281 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 3.4 mtt180 -128.08 82.52 2.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.105 . . . . 0.0 110.319 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 58.2 167.25 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.559 1.162 . . . . 0.0 109.289 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 73.2 mt -112.6 158.28 20.17 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 109.315 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' THR . . . . . 0.4 ' O ' ' C ' ' A' ' 16' ' ' GLN . 82.5 p -99.26 155.8 17.31 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.502 1.127 . . . . 0.0 110.413 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.4 ' C ' ' O ' ' A' ' 15' ' ' THR . 0.0 OUTLIER -38.97 -61.77 0.71 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 110.277 -179.952 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -45.7 -61.23 1.8 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 110.276 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.565 ' OE1' ' CE3' ' A' ' 46' ' ' TRP . 13.2 mm-40 -46.3 -63.49 0.98 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.45 1.094 . . . . 0.0 110.306 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 3.2 m -41.27 -61.72 0.98 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 110.455 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -40.19 -61.57 0.87 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 110.355 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 7.1 mttm -40.64 -51.16 3.03 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.511 1.132 . . . . 0.0 109.292 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.453 ' CD2' ' HB3' ' A' ' 37' ' ' CYS . 1.5 mt -49.71 -59.83 3.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 0.0 109.311 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.403 ' N ' HD22 ' A' ' 23' ' ' LEU . 4.7 mt -40.15 -50.67 2.67 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 109.308 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.58 -67.86 0.22 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.13 . . . . 0.0 110.313 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.568 ' CZ ' HG21 ' A' ' 29' ' ' THR . 55.8 t80 -46.66 -58.59 3.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 111.023 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.452 ' O ' ' N ' ' A' ' 30' ' ' GLY . 1.0 OUTLIER -41.78 -57.49 2.32 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 110.35 179.969 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -55.66 -56.47 20.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 109.319 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 3.6 mt -50.67 -68.55 0.16 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.444 1.09 . . . . 0.0 109.28 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.568 HG21 ' CZ ' ' A' ' 25' ' ' PHE . 27.7 p -52.88 -70.93 0.08 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 0.0 110.411 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.452 ' N ' ' O ' ' A' ' 26' ' ' GLN . . . 113.39 9.51 17.26 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.519 1.137 . . . . 0.0 110.974 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 12.3 mt -66.94 128.02 29.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.545 0.791 . . . . 0.0 109.275 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -73.32 -38.83 65.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 110.306 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.2 m -74.55 128.97 36.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 0.0 109.978 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 1.8 tpt -71.52 -50.75 28.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 111.012 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -47.98 -45.14 31.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 109.316 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 37.2 mt-30 -58.11 -37.33 74.36 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.136 . . . . 0.0 110.244 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.453 ' HB3' ' CD2' ' A' ' 22' ' ' LEU . 11.1 m -67.75 -73.68 0.14 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.135 . . . . 0.0 108.295 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 2.8 ttm180 -44.83 -33.06 1.79 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.434 1.084 . . . . 0.0 110.303 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 3.1 t60 -57.75 -63.83 1.11 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.628 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.523 HG22 ' CZ ' ' A' ' 25' ' ' PHE . 1.4 m -52.15 -38.26 57.07 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.521 1.138 . . . . 0.0 110.422 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 8.9 mt -68.26 -68.1 0.42 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.118 . . . . 0.0 109.302 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -39.54 -46.96 1.83 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 110.291 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -50.87 -63.23 1.19 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.471 1.107 . . . . 0.0 110.334 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.542 ' O ' ' CB ' ' A' ' 45' ' ' ASN . 8.2 m-70 -67.63 -9.59 44.49 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.561 1.163 . . . . 0.0 109.592 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.542 ' CB ' ' O ' ' A' ' 44' ' ' HIS . 32.8 t30 86.74 57.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 109.301 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . 0.565 ' CE3' ' OE1' ' A' ' 18' ' ' GLN . 85.6 m95 45.35 57.72 4.66 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . 0.438 ' O ' ' N ' ' A' ' 50' ' ' ALA . 1.2 m120 -124.16 75.19 1.35 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.543 1.152 . . . . 0.0 109.338 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.407 ' C ' ' O ' ' A' ' 47' ' ' ASN . 89.0 mt -39.54 -51.62 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.482 1.114 . . . . 0.0 109.326 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -44.7 -44.9 9.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.455 1.097 . . . . 0.0 110.292 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.514 ' HB1' ' CG ' ' A' ' 44' ' ' HIS . . . -84.49 -57.25 3.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 109.311 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.483 ' HB1' ' CE1' ' A' ' 25' ' ' PHE . . . -41.56 -46.13 3.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.1 . . . . 0.0 109.304 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 7.6 t -56.19 -51.46 62.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 109.293 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -56.82 -58.99 5.72 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.104 . . . . 0.0 110.275 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.445 ' OD2' ' NE2' ' A' ' 44' ' ' HIS . 0.8 OUTLIER -55.52 -30.26 60.37 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 109.277 -179.976 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.469 ' HG2' ' CG2' ' A' ' 29' ' ' THR . 8.4 tpt180 -70.97 -54.04 12.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 110.253 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.13 -49.43 67.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 109.329 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 18.6 m-20 -44.15 -57.12 3.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.564 1.165 . . . . 0.0 109.29 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -56.7 -32.27 65.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 110.283 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.78 -61.16 2.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.125 . . . . 0.0 110.331 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.43 -63.9 1.02 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 110.321 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -159.79 -157.78 8.8 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.558 1.161 . . . . 0.0 110.985 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 46.48 94.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 0.764 . . . . 0.0 109.983 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 142.47 95.83 0.24 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.517 1.136 . . . . 0.0 110.979 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 99.91 1.3 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.486 1.782 . . . . 0.0 111.029 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.3 m -67.09 -58.01 5.72 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.551 1.157 . . . . 0.0 110.031 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 4.2 t 66.07 164.39 0.18 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.48 1.113 . . . . 0.0 110.035 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.97 0 O-C-N 124.479 1.112 . . . . 0.0 111.027 -179.979 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 34.6 t 178.89 102.8 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 0.762 . . . . 0.0 110.016 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -167.07 93.99 0.46 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 110.015 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 52.61 90.83 0.01 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.445 1.091 . . . . 0.0 110.951 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 95.3 p -112.65 106.14 14.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 0.779 . . . . 0.0 109.976 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.3 m 63.35 169.43 0.15 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 110.009 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 92.35 56.79 1.52 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.534 1.146 . . . . 0.0 111.033 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -127.13 92.88 42.95 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.529 0.782 . . . . 0.0 109.232 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 70.92 5.18 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.497 1.788 . . . . 0.0 110.996 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -113.66 133.25 55.42 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 110.319 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 62.4 mt-10 -142.63 91.94 2.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.12 . . . . 0.0 110.302 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.29 159.26 15.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 110.288 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 -41.57 158.91 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 109.333 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 28.2 mt -105.18 168.45 9.05 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.526 1.141 . . . . 0.0 109.302 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 73.0 p -108.23 152.54 24.45 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 110.435 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 11.1 mp0 -41.3 -58.1 1.93 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 110.328 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -43.06 -61.37 1.32 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 110.336 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 82.1 mt-30 -49.37 -57.58 6.65 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 110.277 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 19.9 m -41.5 -60.78 1.21 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.54 1.15 . . . . 0.0 110.39 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -42.39 -62.06 1.05 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 0.0 110.278 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.5 mttp -40.46 -50.52 2.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.327 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.471 ' CD2' ' HB3' ' A' ' 37' ' ' CYS . 1.6 mt -49.67 -58.63 4.92 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.524 1.14 . . . . 0.0 109.332 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.406 ' N ' HD23 ' A' ' 23' ' ' LEU . 5.0 mt -41.8 -51.6 4.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 109.285 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.32 -68.5 0.16 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 0.0 110.24 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.568 ' CE1' ' HB3' ' A' ' 51' ' ' ALA . 54.4 t80 -46.14 -57.64 4.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.109 . . . . 0.0 110.949 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.451 ' O ' ' N ' ' A' ' 30' ' ' GLY . 0.8 OUTLIER -42.96 -58.85 2.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 110.306 -179.974 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -55.84 -53.46 56.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.151 . . . . 0.0 109.327 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.9 mt -51.34 -68.46 0.17 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 109.299 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.534 HG22 ' CZ ' ' A' ' 25' ' ' PHE . 36.1 p -55.41 -71.16 0.09 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.139 . . . . 0.0 110.459 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.451 ' N ' ' O ' ' A' ' 26' ' ' GLN . . . 113.46 17.56 7.54 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.504 1.127 . . . . 0.0 110.999 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 13.9 mt -72.5 128.0 34.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.51 0.771 . . . . 0.0 109.339 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -67.3 -65.74 0.65 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.493 1.121 . . . . 0.0 110.337 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.2 m -56.92 100.71 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 110.052 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -49.96 -36.85 29.6 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 110.982 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -51.52 -50.3 60.25 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.501 1.126 . . . . 0.0 109.286 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 19.3 mt-30 -53.2 -45.66 68.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 110.265 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.471 ' HB3' ' CD2' ' A' ' 22' ' ' LEU . 2.0 m -53.25 -73.8 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 108.329 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -39.96 -35.96 0.42 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.49 1.119 . . . . 0.0 110.32 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 4.5 t-160 -54.41 -70.62 0.09 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.445 1.091 . . . . 0.0 109.614 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.564 HG21 ' CZ ' ' A' ' 25' ' ' PHE . 1.4 m -44.95 -43.92 9.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 110.392 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.406 ' CD1' HD22 ' A' ' 22' ' ' LEU . 12.8 mt -62.61 -69.67 0.25 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.544 1.153 . . . . 0.0 109.298 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -38.73 -48.11 1.45 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.119 . . . . 0.0 110.321 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 5.6 mt-30 -50.97 -63.1 1.24 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 110.313 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.568 ' CE1' ' HB3' ' A' ' 50' ' ' ALA . 2.2 m-70 -67.79 -9.45 44.29 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.472 1.107 . . . . 0.0 109.628 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.527 ' CB ' ' O ' ' A' ' 44' ' ' HIS . 4.9 m-20 85.51 58.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.551 1.157 . . . . 0.0 109.319 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 84.7 m95 43.89 59.73 3.02 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . 0.446 ' O ' ' N ' ' A' ' 50' ' ' ALA . 1.9 m-20 -126.56 75.63 1.56 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 109.326 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.455 ' CG2' HG23 ' A' ' 52' ' ' VAL . 70.6 mt -39.73 -51.42 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 109.289 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -44.51 -44.21 8.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 0.0 110.288 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.568 ' HB3' ' CE1' ' A' ' 44' ' ' HIS . . . -85.58 -56.78 3.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.338 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.568 ' HB3' ' CE1' ' A' ' 25' ' ' PHE . . . -41.87 -44.95 3.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 109.275 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.455 HG23 ' CG2' ' A' ' 48' ' ' ILE . 9.5 t -57.76 -53.81 39.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.51 1.132 . . . . 0.0 109.249 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.425 ' O ' ' N ' ' A' ' 57' ' ' ASN . 1.0 OUTLIER -57.58 -53.59 56.5 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.144 . . . . 0.0 110.296 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.413 ' HB2' ' NE2' ' A' ' 44' ' ' HIS . 40.0 t0 -60.37 -24.86 65.42 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.527 1.142 . . . . 0.0 109.259 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.492 ' HG2' ' CG2' ' A' ' 29' ' ' THR . 38.1 tpt85 -78.52 -57.55 3.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 110.279 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -65.72 -27.71 68.52 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.461 1.101 . . . . 0.0 109.27 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.425 ' N ' ' O ' ' A' ' 53' ' ' GLN . 83.3 m-20 -69.45 -54.82 12.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.125 . . . . 0.0 109.276 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 41.12 40.32 1.08 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.513 1.133 . . . . 0.0 110.354 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 4.7 mm100 -43.16 159.98 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.421 1.076 . . . . 0.0 110.323 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 62.13 134.95 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.529 1.143 . . . . 0.0 110.28 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -60.09 -170.31 0.48 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.504 1.127 . . . . 0.0 110.998 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.57 157.05 18.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.542 0.789 . . . . 0.0 109.98 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -128.38 178.12 17.33 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.492 1.12 . . . . 0.0 110.975 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 102.85 1.64 Allowed 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.508 1.794 . . . . 0.0 111.04 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 33.9 m -76.1 97.81 4.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 110.015 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -132.35 -58.36 0.94 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.0 110.012 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 O-C-N 124.508 1.13 . . . . 0.0 111.021 -179.983 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.019 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -121.08 149.76 42.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 0.751 . . . . 0.0 109.955 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.2 m -100.71 99.72 10.31 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 109.952 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -90.9 -76.82 1.33 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.498 1.124 . . . . 0.0 110.999 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 66.9 m 54.17 97.28 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.54 0.788 . . . . 0.0 110.004 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.6 t -145.68 -55.84 0.3 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.514 1.134 . . . . 0.0 109.987 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -82.67 145.15 23.59 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.459 1.1 . . . . 0.0 110.966 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 62.72 154.75 0.12 Allowed Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.472 0.748 . . . . 0.0 109.323 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 61.99 5.79 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.472 1.775 . . . . 0.0 111.03 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 58.6 mt-10 64.54 171.47 0.19 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.1 . . . . 0.0 110.307 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -138.68 118.67 13.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.125 . . . . 0.0 110.349 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -62.17 115.39 4.09 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.456 1.097 . . . . 0.0 110.297 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -105.64 150.21 25.63 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 109.341 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 18.8 mt -59.69 173.36 0.57 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.45 1.094 . . . . 0.0 109.281 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 71.1 p -100.74 157.91 16.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 110.384 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 8.7 mt-30 -46.27 -59.74 2.74 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 110.275 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -43.81 -62.38 1.13 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.516 1.135 . . . . 0.0 110.254 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 35.7 mt-30 -50.82 -60.49 3.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 110.29 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 11.8 m -38.88 -57.53 1.22 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.49 1.119 . . . . 0.0 110.4 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -43.61 -59.2 2.29 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.476 1.11 . . . . 0.0 110.262 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.8 mttt -42.51 -48.86 5.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 109.289 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.466 ' CD2' ' HB3' ' A' ' 37' ' ' CYS . 1.7 mt -51.58 -60.16 3.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.281 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.41 ' N ' HD23 ' A' ' 23' ' ' LEU . 4.3 mt -40.29 -49.41 2.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 109.282 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -53.69 -67.37 0.26 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.141 . . . . 0.0 110.355 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.546 ' CE1' ' HB1' ' A' ' 51' ' ' ALA . 57.5 t80 -49.89 -44.5 50.07 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 0.0 110.983 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -55.31 -43.85 75.25 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.465 1.103 . . . . 0.0 110.287 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -67.61 -51.79 46.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 109.303 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.2 mt -53.1 -73.24 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.5 1.125 . . . . 0.0 109.279 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.51 HG23 ' CZ ' ' A' ' 25' ' ' PHE . 61.3 p -51.62 -68.49 0.17 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.486 1.116 . . . . 0.0 110.371 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.414 ' N ' ' OG1' ' A' ' 29' ' ' THR . . . 111.46 13.06 13.62 Favored Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.522 1.139 . . . . 0.0 111.015 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 12.3 mt -68.75 125.45 26.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.548 0.793 . . . . 0.0 109.268 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -72.08 -40.44 68.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 110.334 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -73.61 105.14 4.81 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 110.02 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -52.56 -49.32 65.15 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.525 1.141 . . . . 0.0 111.038 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 26.5 m-20 -46.74 -51.33 16.46 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.537 1.148 . . . . 0.0 109.274 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 15.7 mt-30 -51.03 -45.69 61.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 110.257 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.466 ' HB3' ' CD2' ' A' ' 22' ' ' LEU . 1.7 m -57.2 -73.77 0.06 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.128 . . . . 0.0 108.232 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 6.4 ttt180 -38.49 -40.5 0.57 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 110.262 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 10.5 t-160 -50.15 -67.02 0.29 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.496 1.123 . . . . 0.0 109.56 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.522 HG21 ' CZ ' ' A' ' 25' ' ' PHE . 1.5 m -48.42 -47.62 37.74 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.465 1.103 . . . . 0.0 110.383 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 9.8 mt -58.43 -69.15 0.2 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.561 1.163 . . . . 0.0 109.332 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -38.59 -47.07 1.27 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.13 . . . . 0.0 110.319 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -50.98 -63.1 1.24 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.545 1.153 . . . . 0.0 110.275 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.55 ' O ' ' CB ' ' A' ' 45' ' ' ASN . 4.6 m-70 -67.67 -9.67 45.47 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 0.0 109.566 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.55 ' CB ' ' O ' ' A' ' 44' ' ' HIS . 33.7 t30 87.11 56.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 0.0 109.326 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 86.2 m95 46.52 56.84 5.99 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . 0.442 ' O ' ' N ' ' A' ' 50' ' ' ALA . 1.4 m120 -124.81 75.15 1.4 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 0.0 109.269 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 91.7 mt -40.65 -49.45 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.516 1.135 . . . . 0.0 109.308 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -45.75 -42.85 12.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.443 1.089 . . . . 0.0 110.278 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.514 ' HB2' ' CG ' ' A' ' 44' ' ' HIS . . . -87.62 -56.9 3.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.448 1.093 . . . . 0.0 109.322 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.546 ' HB1' ' CE1' ' A' ' 25' ' ' PHE . . . -42.85 -43.36 4.01 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.499 1.124 . . . . 0.0 109.285 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 16.9 t -57.47 -53.68 41.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.275 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 4.0 mm-40 -56.25 -53.88 52.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.147 . . . . 0.0 110.327 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.41 ' HB2' ' NE2' ' A' ' 44' ' ' HIS . 65.0 t0 -59.31 -30.66 68.51 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 109.29 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.467 ' HG2' ' CG2' ' A' ' 29' ' ' THR . 8.0 tpt180 -70.39 -49.52 48.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 110.329 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.449 ' O ' ' N ' ' A' ' 59' ' ' GLN . 0.4 OUTLIER -70.95 -51.79 23.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 109.335 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 7.6 m-80 -42.77 -62.57 0.97 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.487 1.117 . . . . 0.0 109.319 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 5.4 tm-20 -49.39 -29.93 7.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 0.0 110.283 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.449 ' N ' ' O ' ' A' ' 56' ' ' LEU . 0.0 OUTLIER 55.74 165.87 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.47 1.106 . . . . 0.0 110.309 -180.0 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.412 ' HG3' ' NH2' ' A' ' 55' ' ' ARG . 1.6 mt-10 -74.66 98.31 3.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 110.316 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -80.98 69.48 3.24 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.449 1.093 . . . . 0.0 111.013 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -85.68 -58.09 2.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 0.76 . . . . 0.0 109.972 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 167.31 91.09 0.08 OUTLIER Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.47 1.106 . . . . 0.0 111.015 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 169.39 22.71 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.464 1.771 . . . . 0.0 111.003 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -79.11 161.27 26.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 110.023 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 1.9 m 60.84 105.16 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 109.995 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.962 0 O-C-N 124.484 1.115 . . . . 0.0 110.986 179.947 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.018 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.4 m -85.71 98.56 10.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 0.753 . . . . 0.0 110.036 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.1 m -175.95 131.43 0.25 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.13 . . . . 0.0 109.961 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -126.7 111.57 1.42 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.463 1.102 . . . . 0.0 110.965 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 89.8 p -150.02 132.15 15.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 0.755 . . . . 0.0 110.01 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 91.1 p -158.93 141.14 13.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 0.0 110.038 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -179.7 73.29 0.07 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.451 1.094 . . . . 0.0 111.046 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -113.72 94.71 34.19 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.452 0.736 . . . . 0.0 109.307 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 56.89 4.4 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.473 1.775 . . . . 0.0 111.026 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 58.48 171.4 0.06 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.123 . . . . 0.0 110.279 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 51.1 85.73 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 0.0 110.293 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -152.17 122.66 7.31 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.514 1.134 . . . . 0.0 110.285 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -83.73 140.89 31.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.317 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 28.6 mt -65.18 171.68 3.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.576 1.172 . . . . 0.0 109.274 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 10.6 p -112.94 157.44 21.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 110.424 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -40.81 -60.97 1.04 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 110.276 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -45.41 -61.71 1.56 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.524 1.14 . . . . 0.0 110.339 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.507 ' OE1' ' CD2' ' A' ' 46' ' ' TRP . 10.6 mm100 -47.8 -64.06 0.89 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.51 1.131 . . . . 0.0 110.268 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 3.0 m -41.8 -60.53 1.34 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 110.404 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -39.83 -60.58 0.98 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 110.287 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.7 mttt -42.08 -54.36 3.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.456 1.097 . . . . 0.0 109.276 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.433 ' CD2' ' HB3' ' A' ' 37' ' ' CYS . 1.2 mt -46.09 -56.67 5.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 109.234 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.413 ' N ' HD21 ' A' ' 23' ' ' LEU . 5.5 mt -42.76 -58.76 2.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.32 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -46.67 -67.25 0.3 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 110.293 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.575 ' CZ ' HG22 ' A' ' 29' ' ' THR . 81.1 t80 -45.78 -58.52 3.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 111.002 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.424 ' O ' ' N ' ' A' ' 30' ' ' GLY . 1.0 OUTLIER -43.97 -59.52 2.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 110.311 179.964 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -50.65 -46.97 58.69 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.517 1.135 . . . . 0.0 109.263 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 3.4 mt -58.49 -74.83 0.06 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.542 1.151 . . . . 0.0 109.299 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.575 HG22 ' CZ ' ' A' ' 25' ' ' PHE . 71.9 p -48.18 -66.09 0.46 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.477 1.11 . . . . 0.0 110.413 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.424 ' N ' ' O ' ' A' ' 26' ' ' GLN . . . 110.15 5.44 28.62 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.471 1.107 . . . . 0.0 110.975 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 10.2 mt -55.4 155.5 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.537 0.786 . . . . 0.0 109.316 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -98.74 -54.94 2.87 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.566 1.166 . . . . 0.0 110.292 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -67.38 104.64 1.57 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.496 1.123 . . . . 0.0 110.033 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -47.29 -42.51 21.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 111.014 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -47.39 -57.76 4.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.107 . . . . 0.0 109.327 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -45.99 -46.04 16.14 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.464 1.102 . . . . 0.0 110.328 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.433 ' HB3' ' CD2' ' A' ' 22' ' ' LEU . 8.4 m -58.96 -73.81 0.08 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.143 . . . . 0.0 108.319 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.419 ' HG3' ' CH2' ' A' ' 46' ' ' TRP . 10.2 ttp-105 -43.02 -33.4 0.81 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 110.33 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 13.3 t-160 -61.89 -60.43 3.64 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.499 1.124 . . . . 0.0 109.631 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.534 HG21 ' CZ ' ' A' ' 25' ' ' PHE . 1.0 OUTLIER -55.28 -18.11 5.74 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 110.427 179.946 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.45 ' O ' ' N ' ' A' ' 44' ' ' HIS . 9.3 mt -90.82 -67.83 0.83 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.118 . . . . 0.0 109.316 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -39.13 -43.67 1.08 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 110.318 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . 0.511 ' CG ' ' N ' ' A' ' 44' ' ' HIS . 7.7 pt20 -55.79 -47.02 77.83 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.448 1.093 . . . . 0.0 110.266 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.544 ' O ' ' CB ' ' A' ' 45' ' ' ASN . 71.8 m-70 -83.99 -9.2 58.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.14 . . . . 0.0 109.564 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.544 ' CB ' ' O ' ' A' ' 44' ' ' HIS . 4.2 m120 85.54 46.25 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 109.26 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . 0.507 ' CD2' ' OE1' ' A' ' 18' ' ' GLN . 87.1 m95 56.78 56.59 5.34 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.538 1.149 . . . . 0.0 107.998 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . 0.449 ' O ' ' N ' ' A' ' 50' ' ' ALA . 2.3 m-20 -121.26 79.79 1.57 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.122 . . . . 0.0 109.312 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.419 HG21 ' CG2' ' A' ' 52' ' ' VAL . 32.7 mt -40.68 -47.18 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 109.301 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -49.66 -44.61 47.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.142 . . . . 0.0 110.272 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.511 ' HB3' ' CG ' ' A' ' 44' ' ' HIS . . . -82.59 -55.46 4.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.292 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.49 ' HB2' ' CE1' ' A' ' 25' ' ' PHE . . . -45.69 -51.53 12.27 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.465 1.103 . . . . 0.0 109.309 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.419 ' CG2' HG21 ' A' ' 48' ' ' ILE . 39.4 t -51.05 -46.81 31.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 109.288 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.434 ' O ' ' N ' ' A' ' 57' ' ' ASN . 9.8 mm-40 -60.36 -65.34 0.7 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 110.274 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.416 ' HB2' ' NE2' ' A' ' 44' ' ' HIS . 5.0 t70 -50.15 -27.88 6.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 0.0 109.287 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.474 ' HG2' ' CG2' ' A' ' 29' ' ' THR . 38.0 tpt85 -73.03 -56.58 4.93 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.482 1.114 . . . . 0.0 110.269 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -67.39 -57.32 6.8 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.473 1.108 . . . . 0.0 109.292 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.434 ' N ' ' O ' ' A' ' 53' ' ' GLN . 7.6 m-80 -42.12 -54.21 3.69 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 109.301 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -69.95 100.11 1.53 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.127 . . . . 0.0 110.279 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 7.2 mt-30 -145.34 118.35 8.81 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.491 1.12 . . . . 0.0 110.284 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -89.43 -58.29 2.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.557 1.161 . . . . 0.0 110.291 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 173.55 -164.05 35.56 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.46 1.1 . . . . 0.0 111.051 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 58.3 p 41.55 81.12 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.448 0.734 . . . . 0.0 110.01 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -153.57 157.56 27.48 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.497 1.123 . . . . 0.0 110.994 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -45.74 0.27 Allowed 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.499 1.789 . . . . 0.0 111.014 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 4.5 t -50.15 161.29 0.29 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 110.041 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 8.8 p -147.25 -57.21 0.25 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 0.0 109.944 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 O-C-N 124.481 1.113 . . . . 0.0 111.015 -179.949 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -78.31 133.07 37.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 0.759 . . . . 0.0 110.02 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 58.38 165.45 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.55 1.156 . . . . 0.0 110.044 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -89.38 86.82 1.43 Allowed Glycine 0 CA--C 1.531 1.07 0 O-C-N 124.517 1.136 . . . . 0.0 110.974 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -165.1 112.52 0.99 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.534 0.784 . . . . 0.0 109.982 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.9 t -165.37 120.36 1.3 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.481 1.113 . . . . 0.0 110.008 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -154.29 92.77 0.13 Allowed Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.546 1.153 . . . . 0.0 111.015 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -172.77 156.1 3.21 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.461 0.742 . . . . 0.0 109.315 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -90.3 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.487 1.782 . . . . 0.0 110.954 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 58.11 169.14 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.529 1.143 . . . . 0.0 110.322 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -172.41 131.13 0.58 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 110.31 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -154.13 97.17 2.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 110.297 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 50.8 m-20 59.05 164.14 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.123 . . . . 0.0 109.348 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 12.6 mt -45.94 169.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.138 . . . . 0.0 109.299 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 7.1 p -97.41 151.94 19.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.424 1.077 . . . . 0.0 110.416 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 8.2 mt-30 -41.73 -59.68 1.59 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 110.294 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -41.58 -62.24 0.92 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.451 1.094 . . . . 0.0 110.29 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 59.7 mt-30 -46.92 -60.34 2.5 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.511 1.132 . . . . 0.0 110.262 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.9 m -41.75 -55.11 3.11 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.466 1.104 . . . . 0.0 110.38 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -47.97 -60.81 2.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 110.309 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.6 mttt -41.53 -46.65 3.59 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.531 1.145 . . . . 0.0 109.317 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.462 ' CD2' ' HB3' ' A' ' 37' ' ' CYS . 1.5 mt -52.68 -59.71 4.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 109.276 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.407 ' N ' HD22 ' A' ' 23' ' ' LEU . 5.0 mt -40.68 -52.41 2.93 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 109.336 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 4.5 mm100 -52.61 -68.19 0.19 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 110.305 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.557 ' CZ ' HG23 ' A' ' 29' ' ' THR . 37.2 t80 -45.78 -57.48 4.25 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.47 1.106 . . . . 0.0 111.022 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.452 ' O ' ' N ' ' A' ' 30' ' ' GLY . 1.0 OUTLIER -43.45 -58.64 2.5 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.113 . . . . 0.0 110.315 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -55.06 -56.55 18.52 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 109.28 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 3.3 mt -48.02 -71.78 0.06 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.442 1.089 . . . . 0.0 109.282 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.557 HG23 ' CZ ' ' A' ' 25' ' ' PHE . 24.1 p -53.45 -70.64 0.09 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.459 1.099 . . . . 0.0 110.404 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.452 ' N ' ' O ' ' A' ' 26' ' ' GLN . . . 115.11 18.2 6.42 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.528 1.142 . . . . 0.0 111.017 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 14.4 mt -69.91 147.23 11.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.492 0.76 . . . . 0.0 109.315 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 26.5 mm-40 -91.04 -58.34 2.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 110.252 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.75 103.78 0.47 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.49 1.119 . . . . 0.0 110.026 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 2.1 tpt -44.89 -45.53 10.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.55 1.156 . . . . 0.0 110.992 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -50.92 -55.41 17.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.446 1.091 . . . . 0.0 109.319 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 9.6 mm100 -44.96 -37.57 4.09 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.524 1.14 . . . . 0.0 110.278 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.462 ' HB3' ' CD2' ' A' ' 22' ' ' LEU . 1.1 m -69.36 -73.65 0.15 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.533 1.146 . . . . 0.0 108.294 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.504 ' HG3' ' CZ2' ' A' ' 46' ' ' TRP . 27.5 ttp180 -40.3 -30.21 0.1 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.459 1.099 . . . . 0.0 110.278 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.412 ' N ' ' C ' ' A' ' 37' ' ' CYS . 8.6 t-160 -59.9 -68.28 0.3 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.454 1.096 . . . . 0.0 109.572 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.436 HG23 ' CZ ' ' A' ' 25' ' ' PHE . 1.2 m -49.78 -32.69 14.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 110.359 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.45 ' CD1' HD22 ' A' ' 22' ' ' LEU . 12.4 mt -72.84 -68.1 0.51 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 109.293 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -39.07 -48.33 1.64 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.53 1.144 . . . . 0.0 110.307 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -50.76 -63.64 1.06 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.512 1.133 . . . . 0.0 110.291 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.555 ' CE1' ' HB2' ' A' ' 50' ' ' ALA . 2.6 m-70 -67.25 -9.89 45.11 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.537 1.148 . . . . 0.0 109.576 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.526 ' CB ' ' O ' ' A' ' 44' ' ' HIS . 7.3 m-20 85.25 58.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 109.294 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . 0.504 ' CZ2' ' HG3' ' A' ' 38' ' ' ARG . 81.5 m95 43.62 62.32 1.94 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 108.016 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . 0.446 ' O ' ' N ' ' A' ' 50' ' ' ALA . 1.2 m120 -127.74 76.76 1.7 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.511 1.132 . . . . 0.0 109.297 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.442 ' CG2' HG23 ' A' ' 52' ' ' VAL . 57.6 mt -40.08 -49.68 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.548 1.155 . . . . 0.0 109.345 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -46.37 -44.57 17.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.125 . . . . 0.0 110.264 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.555 ' HB2' ' CE1' ' A' ' 44' ' ' HIS . . . -84.69 -57.64 3.04 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 109.284 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.483 ' HB1' ' CE1' ' A' ' 25' ' ' PHE . . . -40.77 -43.59 2.03 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.561 1.163 . . . . 0.0 109.314 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.442 HG23 ' CG2' ' A' ' 48' ' ' ILE . 9.4 t -62.69 -48.97 85.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.538 1.149 . . . . 0.0 109.29 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.448 ' O ' ' N ' ' A' ' 57' ' ' ASN . 1.0 OUTLIER -63.8 -68.24 0.36 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.103 . . . . 0.0 110.282 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.444 ' CG ' ' NE2' ' A' ' 44' ' ' HIS . 0.5 OUTLIER -42.14 -35.38 0.92 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.271 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 1.6 tpt85 -66.34 -61.0 2.24 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 0.0 110.318 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.406 ' O ' ' C ' ' A' ' 57' ' ' ASN . 0.4 OUTLIER -64.35 -59.69 4.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 0.0 109.303 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.448 ' N ' ' O ' ' A' ' 53' ' ' GLN . 6.5 m-80 -39.83 -64.67 0.46 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.58 1.175 . . . . 0.0 109.329 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -75.61 80.89 2.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.543 1.152 . . . . 0.0 110.326 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 9.6 pm0 -47.74 143.74 3.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.564 1.165 . . . . 0.0 110.287 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -112.4 98.85 7.56 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.496 1.123 . . . . 0.0 110.292 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 48.45 -120.85 6.96 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.534 1.146 . . . . 0.0 111.015 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -87.7 125.93 34.69 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 0.784 . . . . 0.0 110.068 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -144.99 77.9 0.26 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.488 1.118 . . . . 0.0 110.999 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 97.8 1.11 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.491 1.785 . . . . 0.0 111.027 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -160.55 81.43 0.67 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.128 . . . . 0.0 109.974 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -142.55 136.0 28.83 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.542 1.151 . . . . 0.0 109.99 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.991 0 O-C-N 124.529 1.143 . . . . 0.0 111.008 179.99 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.022 0 N-CA-C 111.029 -0.828 . . . . 0.0 111.029 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.5 t -148.73 148.37 29.93 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 0.778 . . . . 0.0 109.957 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 61.73 166.15 0.1 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.13 . . . . 0.0 109.999 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 129.13 83.79 0.36 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.519 1.137 . . . . 0.0 110.974 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -175.44 147.21 0.84 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.457 0.739 . . . . 0.0 110.013 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.4 m -129.25 159.93 34.58 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.471 1.107 . . . . 0.0 109.993 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -179.1 72.57 0.07 OUTLIER Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.524 1.14 . . . . 0.0 110.977 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -146.21 92.76 5.2 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.518 0.775 . . . . 0.0 109.274 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 70.65 5.21 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.51 1.794 . . . . 0.0 110.971 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -81.36 123.16 28.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.442 1.089 . . . . 0.0 110.316 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -85.29 74.57 10.39 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.512 1.132 . . . . 0.0 110.288 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.2 mmp_? -144.73 144.16 31.06 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 110.273 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -44.39 162.83 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 109.315 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 13.6 mt -73.85 175.15 7.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 109.279 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 10.4 p -96.87 151.73 19.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.451 1.094 . . . . 0.0 110.449 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -39.77 -61.5 0.83 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 110.277 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -44.07 -64.98 0.57 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 110.296 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 77.2 mt-30 -48.43 -61.01 2.23 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.556 1.16 . . . . 0.0 110.285 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 15.5 m -41.77 -60.87 1.23 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.144 . . . . 0.0 110.362 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -43.81 -61.32 1.46 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 0.0 110.311 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 10.3 mttp -40.5 -57.03 1.92 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.29 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.461 ' CD2' ' HB3' ' A' ' 37' ' ' CYS . 1.5 mt -43.6 -56.86 3.46 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.465 1.103 . . . . 0.0 109.306 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.41 ' N ' HD23 ' A' ' 23' ' ' LEU . 5.7 mt -42.54 -61.46 1.22 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 109.291 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -46.1 -62.73 1.21 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 110.266 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.479 ' CE1' ' HB3' ' A' ' 51' ' ' ALA . 77.6 t80 -51.98 -43.98 63.82 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.491 1.119 . . . . 0.0 111.013 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 7.7 tt0 -59.38 -40.52 86.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.148 . . . . 0.0 110.281 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -71.17 -41.56 70.23 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.555 1.159 . . . . 0.0 109.315 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.7 mt -62.36 -64.46 0.92 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 109.272 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.454 ' CG2' ' HG2' ' A' ' 55' ' ' ARG . 41.5 p -58.37 -73.77 0.07 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.443 1.089 . . . . 0.0 110.379 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 116.46 14.37 7.6 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.499 1.124 . . . . 0.0 111.035 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 11.0 mt -67.31 157.03 6.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.491 0.759 . . . . 0.0 109.275 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -100.27 -48.77 4.48 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 0.0 110.289 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 18.3 m -72.27 103.56 3.42 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 110.009 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -46.77 -45.39 19.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 110.987 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -45.47 -59.36 2.75 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.464 1.102 . . . . 0.0 109.338 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 13.1 mm100 -43.44 -43.14 5.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 110.25 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.461 ' HB3' ' CD2' ' A' ' 22' ' ' LEU . 3.0 m -66.72 -73.8 0.13 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.562 1.164 . . . . 0.0 108.321 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -40.12 -32.55 0.18 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.142 . . . . 0.0 110.283 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 10.4 t-160 -64.72 -60.1 3.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.574 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.465 HG22 ' CZ ' ' A' ' 25' ' ' PHE . 1.0 OUTLIER -56.22 -17.92 8.83 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.458 1.099 . . . . 0.0 110.396 -179.973 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.456 ' O ' ' N ' ' A' ' 44' ' ' HIS . 8.5 mt -91.23 -66.15 0.95 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.273 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -41.97 -42.48 2.83 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 110.288 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . 0.422 ' NE2' ' HA ' ' A' ' 40' ' ' THR . 1.9 pt20 -57.13 -41.57 79.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 110.292 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.577 ' O ' ' CB ' ' A' ' 45' ' ' ASN . 62.3 m-70 -88.07 -9.5 53.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.655 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.577 ' CB ' ' O ' ' A' ' 44' ' ' HIS . 21.9 t30 88.18 36.99 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.494 1.121 . . . . 0.0 109.324 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 85.7 m95 65.08 52.51 1.5 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 108.024 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . 0.447 ' O ' ' N ' ' A' ' 50' ' ' ALA . 0.8 OUTLIER -116.8 81.12 1.58 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.281 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.467 HG21 ' CG2' ' A' ' 52' ' ' VAL . 35.7 mt -41.66 -46.03 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.438 1.086 . . . . 0.0 109.316 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -50.12 -43.17 51.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 110.328 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.503 ' CB ' ' ND1' ' A' ' 44' ' ' HIS . . . -84.57 -54.94 4.4 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 109.262 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.479 ' HB3' ' CE1' ' A' ' 25' ' ' PHE . . . -46.4 -50.04 17.18 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 109.341 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.467 ' CG2' HG21 ' A' ' 48' ' ' ILE . 41.0 t -51.41 -38.69 20.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 109.302 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.453 ' NE2' ' CG ' ' A' ' 57' ' ' ASN . 9.3 tp60 -71.55 -61.07 1.91 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 110.278 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.418 ' HB2' ' NE2' ' A' ' 44' ' ' HIS . 0.1 OUTLIER -52.54 -21.52 3.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.311 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.454 ' HG2' ' CG2' ' A' ' 29' ' ' THR . 4.3 tpt180 -78.61 -46.73 18.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 110.306 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -70.61 -36.88 73.74 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.555 1.16 . . . . 0.0 109.324 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.453 ' CG ' ' NE2' ' A' ' 53' ' ' GLN . 1.6 m-20 -43.45 -60.17 1.84 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 0.0 109.31 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -92.8 73.15 4.92 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.538 1.149 . . . . 0.0 110.332 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 29.8 pt20 -90.43 164.06 14.43 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.443 1.09 . . . . 0.0 110.329 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.1 pm0 -105.38 153.59 21.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 110.352 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -163.06 178.13 38.86 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.502 1.126 . . . . 0.0 110.997 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -137.47 -55.24 0.69 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.483 0.754 . . . . 0.0 109.997 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 164.47 76.81 0.03 OUTLIER Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.464 1.103 . . . . 0.0 110.997 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.05 110.04 3.04 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.552 1.817 . . . . 0.0 111.012 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 29.5 m -146.81 148.24 31.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.992 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 32.6 t 57.29 97.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.553 1.158 . . . . 0.0 109.986 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.983 0 O-C-N 124.47 1.106 . . . . 0.0 111.003 179.992 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.5 t -76.32 91.95 3.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 0.772 . . . . 0.0 110.011 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -165.33 147.11 7.58 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.512 1.132 . . . . 0.0 109.991 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -90.54 62.94 3.03 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.501 1.126 . . . . 0.0 111.009 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -160.45 115.85 2.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 0.757 . . . . 0.0 109.963 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -177.06 140.16 0.29 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 110.014 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 53.62 -142.95 28.8 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.482 1.114 . . . . 0.0 110.991 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -94.9 170.27 8.23 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.456 0.739 . . . . 0.0 109.338 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 73.59 4.27 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.526 1.803 . . . . 0.0 110.975 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -106.01 1.43 26.49 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.13 . . . . 0.0 110.32 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 58.17 77.45 0.29 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.467 1.104 . . . . 0.0 110.256 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -77.6 144.64 37.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 0.0 110.283 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -61.0 159.53 11.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 109.262 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 38.2 mt -54.55 169.84 0.18 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.518 1.136 . . . . 0.0 109.313 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 15.3 p -108.46 156.95 18.88 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.463 1.102 . . . . 0.0 110.394 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 18.3 mt-30 -44.5 -53.25 7.17 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 0.0 110.339 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -47.98 -60.97 2.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 110.309 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.401 ' NE2' ' NE1' ' A' ' 46' ' ' TRP . 72.8 mt-30 -49.09 -57.67 6.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 110.296 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 19.2 m -40.93 -60.5 1.17 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 110.395 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -45.88 -59.27 2.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.104 . . . . 0.0 110.323 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -42.11 -46.12 4.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.546 1.154 . . . . 0.0 109.326 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.478 ' CD2' ' HB3' ' A' ' 37' ' ' CYS . 0.9 OUTLIER -53.56 -59.9 4.0 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.477 1.111 . . . . 0.0 109.32 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.402 ' N ' HD23 ' A' ' 23' ' ' LEU . 4.8 mt -40.83 -49.1 3.16 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.128 . . . . 0.0 109.308 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.69 -67.75 0.24 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 110.262 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.546 ' CZ ' HG21 ' A' ' 40' ' ' THR . 26.8 t80 -45.95 -57.65 4.22 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.142 . . . . 0.0 110.965 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -46.89 -59.39 3.11 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 110.296 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -52.54 -47.26 66.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.57 1.169 . . . . 0.0 109.349 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 4.8 mt -61.69 -78.07 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.564 1.165 . . . . 0.0 109.311 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.54 HG22 ' CZ ' ' A' ' 25' ' ' PHE . 81.9 p -43.09 -61.45 1.31 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 110.383 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 105.4 7.51 37.16 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.472 1.108 . . . . 0.0 110.994 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.411 ' CD1' ' NE ' ' A' ' 55' ' ' ARG . 22.0 mt -58.02 129.94 20.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.535 0.785 . . . . 0.0 109.292 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.414 ' HG3' ' N ' ' A' ' 33' ' ' SER . 8.1 pt-20 -77.81 -31.05 51.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 110.304 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.414 ' N ' ' HG3' ' A' ' 32' ' ' GLU . 0.4 OUTLIER -85.58 115.17 23.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.557 1.161 . . . . 0.0 110.003 -179.976 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 2.4 tpt -58.25 -53.56 56.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 110.995 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -46.78 -50.77 17.72 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 109.297 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 10.3 mm100 -49.97 -44.53 50.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.132 . . . . 0.0 110.287 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.478 ' HB3' ' CD2' ' A' ' 22' ' ' LEU . 1.2 m -58.64 -73.64 0.08 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.104 . . . . 0.0 108.26 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.408 ' HG3' ' CH2' ' A' ' 46' ' ' TRP . 32.4 ttp180 -40.91 -38.41 0.95 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 110.332 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 9.8 t-160 -50.78 -71.08 0.07 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 109.579 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.546 HG21 ' CZ ' ' A' ' 25' ' ' PHE . 1.2 m -44.75 -44.63 9.41 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.536 1.147 . . . . 0.0 110.38 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.4 ' O ' ' N ' ' A' ' 45' ' ' ASN . 15.0 mt -61.01 -69.97 0.21 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.45 1.094 . . . . 0.0 109.275 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -38.23 -46.46 1.08 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.512 1.133 . . . . 0.0 110.296 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 2.7 mm-40 -51.37 -61.46 2.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 110.354 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.568 ' CE1' ' HB1' ' A' ' 50' ' ' ALA . 2.3 m-70 -70.69 -9.18 56.56 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.538 1.149 . . . . 0.0 109.624 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.547 ' CB ' ' O ' ' A' ' 44' ' ' HIS . 1.6 m-20 85.67 58.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.122 . . . . 0.0 109.302 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . 0.408 ' CH2' ' HG3' ' A' ' 38' ' ' ARG . 85.1 m95 45.32 61.83 2.41 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 0.0 108.043 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . 0.448 ' O ' ' N ' ' A' ' 50' ' ' ALA . 3.5 m-20 -129.99 75.31 1.64 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.543 1.152 . . . . 0.0 109.279 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 76.4 mt -40.74 -49.03 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 0.0 109.281 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.406 ' O ' ' CD ' ' A' ' 53' ' ' GLN . 1.1 mm-40 -46.22 -42.56 14.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 110.322 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.568 ' HB1' ' CE1' ' A' ' 44' ' ' HIS . . . -87.62 -56.56 3.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.279 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.433 ' HB1' ' CE1' ' A' ' 25' ' ' PHE . . . -43.27 -42.46 4.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.112 . . . . 0.0 109.267 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 22.7 t -60.39 -44.77 96.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 109.28 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.459 ' O ' ' N ' ' A' ' 57' ' ' ASN . 0.4 OUTLIER -67.26 -68.35 0.39 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 110.319 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.414 ' HB2' ' NE2' ' A' ' 44' ' ' HIS . 1.0 OUTLIER -41.8 -29.81 0.22 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 0.0 109.308 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.421 ' N ' ' C ' ' A' ' 53' ' ' GLN . 3.1 tpt85 -72.87 -58.4 3.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 110.31 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.417 ' O ' ' C ' ' A' ' 57' ' ' ASN . 0.4 OUTLIER -68.04 -57.7 5.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.284 179.988 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.459 ' N ' ' O ' ' A' ' 53' ' ' GLN . 3.8 m-80 -39.21 -62.6 0.63 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 0.0 109.353 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -86.25 86.47 7.34 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.493 1.121 . . . . 0.0 110.275 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.18 -58.85 6.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 110.286 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 68.15 124.65 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 110.296 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 81.54 109.27 0.36 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.506 1.129 . . . . 0.0 111.003 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 8.4 t -162.06 169.14 21.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 0.755 . . . . 0.0 109.999 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -66.92 -155.43 0.41 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.529 1.143 . . . . 0.0 111.02 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 75.34 3.73 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.494 1.786 . . . . 0.0 110.969 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 3.7 m -149.37 101.66 3.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 110.001 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 4.0 m 61.76 165.11 0.09 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.13 . . . . 0.0 109.953 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.966 0 O-C-N 124.489 1.118 . . . . 0.0 111.012 179.979 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.029 0 N-CA-C 111.043 -0.823 . . . . 0.0 111.043 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.7 t -79.98 122.07 26.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 0.764 . . . . 0.0 109.996 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -149.95 104.56 3.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 110.003 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -52.22 109.01 0.76 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.527 1.142 . . . . 0.0 110.951 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 90.5 p -145.05 165.99 26.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 0.745 . . . . 0.0 109.999 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -149.43 142.81 25.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.551 1.157 . . . . 0.0 110.004 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 50.54 98.19 0.01 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.504 1.127 . . . . 0.0 111.015 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -172.16 154.69 3.39 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.51 0.771 . . . . 0.0 109.307 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 87.21 1.34 Allowed 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.482 1.78 . . . . 0.0 110.998 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -111.42 162.51 14.98 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 0.0 110.285 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -113.33 173.64 6.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 0.0 110.273 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 64.04 168.03 0.16 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.139 . . . . 0.0 110.286 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -44.97 165.27 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.281 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 15.8 mt -55.0 -176.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.136 . . . . 0.0 109.302 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 7.1 p -103.77 151.23 23.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 110.412 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -38.96 -61.5 0.73 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 110.319 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -44.4 -58.33 3.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 110.284 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 14.5 mm100 -50.3 -63.47 1.11 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 110.329 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.9 m -42.13 -44.27 3.6 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.478 1.111 . . . . 0.0 110.409 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.412 ' HG2' ' N ' ' A' ' 21' ' ' LYS . 0.0 OUTLIER -56.44 -46.66 80.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 110.284 -179.968 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.412 ' N ' ' HG2' ' A' ' 20' ' ' GLU . 8.6 mttp -56.03 -36.54 68.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.249 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.469 ' CD2' ' HB3' ' A' ' 37' ' ' CYS . 2.5 mt -62.98 -57.03 12.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.322 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.412 ' N ' HD23 ' A' ' 23' ' ' LEU . 4.9 mt -41.52 -50.3 3.98 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 0.0 109.314 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -52.7 -68.03 0.2 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.502 1.126 . . . . 0.0 110.29 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.571 ' CZ ' HG23 ' A' ' 29' ' ' THR . 59.8 t80 -48.01 -58.6 4.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 110.97 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.435 ' O ' ' N ' ' A' ' 30' ' ' GLY . 1.1 tt0 -40.87 -57.77 1.87 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 110.265 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -56.15 -56.24 23.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.316 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.8 mt -50.71 -68.54 0.16 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.276 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.571 HG23 ' CZ ' ' A' ' 25' ' ' PHE . 27.2 p -52.7 -71.27 0.07 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 110.348 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.435 ' N ' ' O ' ' A' ' 26' ' ' GLN . . . 114.86 12.75 9.89 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.508 1.13 . . . . 0.0 111.031 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 18.5 mt -70.06 148.54 11.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.482 0.754 . . . . 0.0 109.304 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -92.34 -58.1 2.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 110.297 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.97 106.78 0.75 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 109.99 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' MET . . . . . 0.432 ' HE3' ' CD2' ' A' ' 22' ' ' LEU . 2.4 tpt -49.29 -41.62 38.7 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.46 1.1 . . . . 0.0 110.974 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -51.08 -49.52 60.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 109.297 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 13.8 mt-30 -53.12 -41.05 64.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.12 . . . . 0.0 110.282 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.469 ' HB3' ' CD2' ' A' ' 22' ' ' LEU . 3.3 m -65.65 -73.86 0.12 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 108.261 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 21.5 ttt180 -39.41 -33.93 0.18 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 0.0 110.291 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 3.9 t60 -60.2 -64.77 0.83 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.603 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.519 HG21 ' CZ ' ' A' ' 25' ' ' PHE . 2.5 m -49.96 -36.01 26.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 110.421 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.467 ' CD1' HD23 ' A' ' 22' ' ' LEU . 8.4 mt -72.11 -69.79 0.37 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 109.326 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.421 ' HG2' ' NE1' ' A' ' 46' ' ' TRP . 3.1 mm-40 -38.9 -43.32 0.94 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 110.29 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.21 -61.06 2.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.1 . . . . 0.0 110.311 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.551 ' O ' ' CB ' ' A' ' 45' ' ' ASN . 5.1 m-70 -70.81 -9.61 57.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.096 . . . . 0.0 109.594 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.551 ' CB ' ' O ' ' A' ' 44' ' ' HIS . 10.3 t-20 87.26 57.17 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.536 1.148 . . . . 0.0 109.307 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . 0.421 ' NE1' ' HG2' ' A' ' 42' ' ' GLU . 85.5 m95 45.71 60.46 3.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.106 . . . . 0.0 108.018 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . 0.443 ' O ' ' N ' ' A' ' 50' ' ' ALA . 1.3 m-20 -127.48 76.64 1.68 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.131 . . . . 0.0 109.29 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.452 ' CG2' HG22 ' A' ' 52' ' ' VAL . 58.1 mt -39.03 -51.07 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.472 1.108 . . . . 0.0 109.322 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -45.83 -46.49 15.6 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 110.286 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.514 ' HB3' ' CG ' ' A' ' 44' ' ' HIS . . . -82.0 -56.69 3.8 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 109.271 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.447 ' HB3' ' CE1' ' A' ' 25' ' ' PHE . . . -42.08 -49.41 4.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 109.292 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.452 HG22 ' CG2' ' A' ' 48' ' ' ILE . 13.6 t -51.05 -44.93 29.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.302 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.433 ' N ' ' O ' ' A' ' 50' ' ' ALA . 0.9 OUTLIER -64.42 -61.54 2.16 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.537 1.148 . . . . 0.0 110.27 -179.961 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.424 ' HB2' ' CD2' ' A' ' 44' ' ' HIS . 18.3 t0 -51.16 -23.73 3.54 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.127 . . . . 0.0 109.297 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 38.8 tpt85 -78.5 -56.69 4.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.118 . . . . 0.0 110.329 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -66.62 -57.63 6.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.25 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.408 ' N ' ' O ' ' A' ' 53' ' ' GLN . 64.5 m-20 -40.37 -54.02 2.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 0.0 109.313 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 47.28 66.65 0.96 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.539 1.149 . . . . 0.0 110.306 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -73.26 122.01 21.28 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 110.326 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 47.11 88.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.138 . . . . 0.0 110.285 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 179.67 112.32 0.34 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.461 1.1 . . . . 0.0 111.023 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 20.5 m -125.91 148.15 49.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 0.783 . . . . 0.0 109.99 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 173.57 99.1 0.12 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.472 1.108 . . . . 0.0 111.031 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 166.28 29.55 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.514 1.797 . . . . 0.0 111.007 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 178.99 85.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 110.002 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -176.83 167.09 2.56 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 109.966 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 O-C-N 124.462 1.101 . . . . 0.0 110.984 -179.992 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.975 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.4 p -109.79 153.07 24.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 0.759 . . . . 0.0 110.038 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.5 p -166.95 120.08 0.99 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 110.009 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 87.03 70.74 1.3 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.527 1.142 . . . . 0.0 111.013 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 71.17 -60.46 0.51 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 0.761 . . . . 0.0 109.97 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 66.4 m -162.49 138.95 7.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.541 1.15 . . . . 0.0 110.009 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -83.3 133.42 11.88 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.535 1.147 . . . . 0.0 111.017 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -114.52 154.79 46.57 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.498 0.764 . . . . 0.0 109.275 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 78.37 2.91 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.52 1.8 . . . . 0.0 110.97 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 57.35 170.81 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.543 1.152 . . . . 0.0 110.336 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER 63.93 101.9 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.465 1.103 . . . . 0.0 110.267 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -60.01 167.36 2.32 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.129 . . . . 0.0 110.269 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -172.52 148.45 1.99 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 109.262 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 42.7 mt -72.13 152.51 42.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 109.337 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' THR . . . . . 0.435 ' OG1' ' N ' ' A' ' 16' ' ' GLN . 0.2 OUTLIER -114.64 170.61 8.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 110.386 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.435 ' N ' ' OG1' ' A' ' 15' ' ' THR . 1.6 tm0? -54.79 -18.99 5.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.454 1.096 . . . . 0.0 110.323 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -79.67 -61.74 1.9 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.514 1.134 . . . . 0.0 110.32 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 14.3 mm100 -45.45 -54.76 6.94 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.533 1.146 . . . . 0.0 110.3 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 17.6 m -44.28 -55.11 5.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 110.389 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -44.48 -59.85 2.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.442 1.089 . . . . 0.0 110.294 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -44.18 -44.7 7.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.427 1.08 . . . . 0.0 109.317 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.461 ' CD2' ' HB3' ' A' ' 37' ' ' CYS . 0.8 OUTLIER -55.43 -59.0 5.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.434 1.084 . . . . 0.0 109.278 -179.976 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.42 ' N ' HD23 ' A' ' 23' ' ' LEU . 5.3 mt -40.36 -50.04 2.81 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.432 1.083 . . . . 0.0 109.333 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.86 -67.49 0.25 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 110.233 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.57 ' CZ ' HG23 ' A' ' 40' ' ' THR . 38.1 t80 -47.66 -52.11 19.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.455 1.097 . . . . 0.0 110.999 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -54.03 -41.3 67.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 110.279 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -71.78 -36.37 70.33 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.461 1.101 . . . . 0.0 109.299 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 3.8 mt -69.68 -63.78 1.01 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.509 1.131 . . . . 0.0 109.317 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.413 HG23 ' CE1' ' A' ' 25' ' ' PHE . 28.3 p -62.98 -72.16 0.14 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 110.372 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 114.54 16.35 7.64 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.512 1.133 . . . . 0.0 110.974 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.415 HD13 ' NE ' ' A' ' 55' ' ' ARG . 18.0 mt -68.9 127.42 30.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.529 0.782 . . . . 0.0 109.306 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.86 -52.17 27.13 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.465 1.103 . . . . 0.0 110.304 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -63.56 113.12 3.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.098 . . . . 0.0 110.002 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.53 -49.24 78.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 111.002 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -50.23 -42.21 51.35 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.128 . . . . 0.0 109.273 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 10.4 mt-30 -59.55 -31.09 69.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.107 . . . . 0.0 110.284 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.461 ' HB3' ' CD2' ' A' ' 22' ' ' LEU . 1.6 m -75.62 -74.02 0.23 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 108.296 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.476 ' HG3' ' CZ2' ' A' ' 46' ' ' TRP . 35.3 ttp180 -40.04 -30.21 0.09 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 110.295 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.414 ' N ' ' C ' ' A' ' 37' ' ' CYS . 8.9 t60 -61.53 -69.73 0.23 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 109.614 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.57 HG23 ' CZ ' ' A' ' 25' ' ' PHE . 1.2 m -46.3 -31.94 2.84 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 110.37 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 19.7 mt -76.34 -70.53 0.44 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 109.326 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.411 ' HG2' ' NE1' ' A' ' 46' ' ' TRP . 2.4 mm-40 -38.9 -43.44 0.95 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 110.311 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -49.69 -65.87 0.49 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.505 1.128 . . . . 0.0 110.255 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.589 ' O ' ' CB ' ' A' ' 45' ' ' ASN . 2.2 m-70 -69.16 -9.43 52.84 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 109.639 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.589 ' CB ' ' O ' ' A' ' 44' ' ' HIS . 23.9 t30 88.76 59.89 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 109.292 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . 0.476 ' CZ2' ' HG3' ' A' ' 38' ' ' ARG . 82.8 m95 44.87 62.81 1.94 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 107.979 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . 0.464 ' O ' ' N ' ' A' ' 50' ' ' ALA . 0.8 OUTLIER -129.8 76.92 1.76 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 109.302 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.456 ' CG2' HG21 ' A' ' 52' ' ' VAL . 49.1 mt -39.71 -51.44 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 109.306 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -45.96 -43.46 14.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 110.278 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.511 ' HB3' ' CG ' ' A' ' 44' ' ' HIS . . . -84.05 -58.1 2.91 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.526 1.141 . . . . 0.0 109.276 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -41.77 -46.4 3.85 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.31 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.456 HG21 ' CG2' ' A' ' 48' ' ' ILE . 14.0 t -59.86 -45.72 94.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.455 1.097 . . . . 0.0 109.279 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.461 ' O ' ' N ' ' A' ' 57' ' ' ASN . 2.9 mm-40 -66.4 -65.24 0.7 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 110.327 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.418 ' HB2' ' NE2' ' A' ' 44' ' ' HIS . 24.6 t0 -45.8 -26.02 0.6 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 109.281 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.415 ' NE ' HD13 ' A' ' 31' ' ' ILE . 0.5 OUTLIER -77.88 -59.22 2.87 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.532 1.145 . . . . 0.0 110.349 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.407 ' O ' ' C ' ' A' ' 57' ' ' ASN . 0.4 OUTLIER -66.29 -58.88 4.39 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.498 1.123 . . . . 0.0 109.354 179.957 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.461 ' N ' ' O ' ' A' ' 53' ' ' GLN . 44.1 m-20 -39.93 -63.99 0.54 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.132 . . . . 0.0 109.304 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -71.72 105.47 3.74 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 110.291 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 3.8 tt0 69.24 128.39 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 0.0 110.328 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -150.38 127.75 11.41 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.456 1.097 . . . . 0.0 110.3 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -86.51 67.13 3.51 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.467 1.104 . . . . 0.0 110.989 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -162.08 160.46 27.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 0.764 . . . . 0.0 109.988 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -52.84 171.86 0.47 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.489 1.118 . . . . 0.0 110.995 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 133.46 16.61 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.542 1.812 . . . . 0.0 111.021 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 44.6 t -107.52 132.07 53.64 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.52 1.138 . . . . 0.0 110.016 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 86.2 p -103.76 140.18 37.98 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 109.983 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 O-C-N 124.512 1.132 . . . . 0.0 110.999 179.96 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -129.7 163.35 26.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 0.751 . . . . 0.0 110.008 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -105.07 -58.78 1.84 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 110.038 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 50.88 65.59 2.97 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.46 1.1 . . . . 0.0 111.023 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.1 t -174.82 158.63 2.64 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.463 0.743 . . . . 0.0 110.017 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.1 t -162.32 -59.88 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 110.01 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 176.5 89.03 0.07 OUTLIER Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.527 1.142 . . . . 0.0 110.976 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -144.13 93.38 6.01 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.541 0.789 . . . . 0.0 109.251 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 64.22 6.04 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.529 1.805 . . . . 0.0 110.978 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -90.75 125.26 35.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 1.139 . . . . 0.0 110.34 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -39.64 151.47 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.431 1.082 . . . . 0.0 110.287 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 62.99 112.51 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 110.307 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.403 ' O ' ' C ' ' A' ' 14' ' ' LEU . 0.4 OUTLIER -142.27 17.09 2.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.135 . . . . 0.0 109.331 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.403 ' C ' ' O ' ' A' ' 13' ' ' ASP . 45.3 mt -39.6 153.55 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 109.284 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 12.7 p -96.16 159.85 14.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.438 1.086 . . . . 0.0 110.373 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 22.5 mp0 -38.41 -57.48 1.13 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.544 1.152 . . . . 0.0 110.312 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -45.64 -59.95 2.47 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.537 1.148 . . . . 0.0 110.332 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.517 ' NE2' ' CE2' ' A' ' 46' ' ' TRP . 73.6 mt-30 -58.54 -59.73 4.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 110.309 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 18.0 m -42.08 -60.64 1.36 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.143 . . . . 0.0 110.398 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -48.64 -60.43 2.72 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.556 1.16 . . . . 0.0 110.3 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.4 mttm -40.23 -48.94 2.67 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.53 1.144 . . . . 0.0 109.321 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.47 ' CD2' ' HB3' ' A' ' 37' ' ' CYS . 2.5 mt -50.84 -60.24 3.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 109.339 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.407 ' N ' HD21 ' A' ' 23' ' ' LEU . 4.7 mt -40.46 -51.33 2.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.322 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 4.2 mm100 -52.94 -67.97 0.21 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.494 1.121 . . . . 0.0 110.303 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.565 ' CZ ' HG23 ' A' ' 29' ' ' THR . 60.8 t80 -49.5 -51.9 33.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 111.017 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 4.9 tt0 -52.2 -38.65 58.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 110.319 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -72.91 -49.63 28.51 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 109.264 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.8 mt -57.2 -64.26 0.94 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.514 1.134 . . . . 0.0 109.327 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.565 HG23 ' CZ ' ' A' ' 25' ' ' PHE . 67.4 p -59.71 -69.27 0.22 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.449 1.093 . . . . 0.0 110.403 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 108.99 24.96 5.81 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.496 1.122 . . . . 0.0 110.985 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.415 HD12 ' NE ' ' A' ' 55' ' ' ARG . 20.7 mt -75.83 134.69 28.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.505 0.767 . . . . 0.0 109.271 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -74.19 -60.86 2.07 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 110.255 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 19.9 m -64.58 111.65 2.81 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.553 1.158 . . . . 0.0 110.01 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -55.64 -38.76 69.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.143 . . . . 0.0 110.973 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -50.43 -49.26 55.35 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.142 . . . . 0.0 109.283 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 14.6 mt-30 -53.54 -42.83 67.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 110.346 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.47 ' HB3' ' CD2' ' A' ' 22' ' ' LEU . 1.8 m -61.42 -73.44 0.1 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.454 1.096 . . . . 0.0 108.312 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 6.7 ttp180 -38.73 -33.48 0.11 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.132 . . . . 0.0 110.271 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 9.2 t-160 -59.29 -70.12 0.17 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.595 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.528 HG21 ' CZ ' ' A' ' 25' ' ' PHE . 1.4 m -46.21 -36.15 5.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 110.423 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.415 ' O ' ' N ' ' A' ' 45' ' ' ASN . 12.5 mt -71.12 -70.21 0.32 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.467 1.104 . . . . 0.0 109.25 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -38.36 -47.42 1.23 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.541 1.15 . . . . 0.0 110.317 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -50.41 -64.08 0.92 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.479 1.112 . . . . 0.0 110.336 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.543 ' O ' ' CB ' ' A' ' 45' ' ' ASN . 4.4 m-70 -68.81 -9.59 52.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.133 . . . . 0.0 109.604 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.543 ' CB ' ' O ' ' A' ' 44' ' ' HIS . 4.4 m120 85.34 60.69 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 0.0 109.286 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . 0.517 ' CE2' ' NE2' ' A' ' 18' ' ' GLN . 81.3 m95 42.91 62.19 1.87 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 107.995 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . 0.44 ' O ' ' N ' ' A' ' 50' ' ' ALA . 2.6 m-20 -128.61 75.74 1.66 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 109.276 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.439 ' CG2' HG22 ' A' ' 52' ' ' VAL . 11.2 mt -39.87 -48.81 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.454 1.096 . . . . 0.0 109.274 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -47.37 -45.76 25.29 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.547 1.154 . . . . 0.0 110.308 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.498 ' HB1' ' CG ' ' A' ' 44' ' ' HIS . . . -83.39 -57.08 3.4 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.442 1.088 . . . . 0.0 109.285 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.523 ' HB2' ' CE1' ' A' ' 25' ' ' PHE . . . -42.27 -46.14 4.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.45 1.094 . . . . 0.0 109.294 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.439 HG22 ' CG2' ' A' ' 48' ' ' ILE . 22.4 t -55.5 -45.54 78.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.538 1.149 . . . . 0.0 109.337 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.462 ' O ' ' N ' ' A' ' 57' ' ' ASN . 70.4 mm-40 -65.95 -68.18 0.39 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 110.308 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.423 ' HB2' ' NE2' ' A' ' 44' ' ' HIS . 1.2 t70 -41.2 -29.11 0.12 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.459 1.099 . . . . 0.0 109.307 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.446 ' N ' ' C ' ' A' ' 53' ' ' GLN . 5.2 tpt85 -75.34 -58.86 3.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.536 1.147 . . . . 0.0 110.334 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.407 ' O ' ' C ' ' A' ' 57' ' ' ASN . 0.5 OUTLIER -69.9 -61.58 1.72 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.135 . . . . 0.0 109.339 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.462 ' N ' ' O ' ' A' ' 53' ' ' GLN . 48.0 m-20 -39.64 -51.66 2.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 109.29 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 44.12 68.45 0.53 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.515 1.134 . . . . 0.0 110.251 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 12.7 tt0 -106.09 70.28 0.84 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.52 1.138 . . . . 0.0 110.281 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -92.58 -63.75 1.19 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.134 . . . . 0.0 110.314 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 67.8 134.7 0.05 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.526 1.141 . . . . 0.0 110.967 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -154.73 165.41 36.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 0.761 . . . . 0.0 110.027 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 150.43 75.0 0.01 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.51 1.131 . . . . 0.0 110.96 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 171.03 19.11 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.508 1.794 . . . . 0.0 111.006 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -149.9 95.01 2.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.142 . . . . 0.0 109.995 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -92.0 149.4 21.55 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 109.996 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.013 0 O-C-N 124.523 1.139 . . . . 0.0 110.999 179.974 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.3 p -135.28 95.07 3.21 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.532 0.784 . . . . 0.0 110.007 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -165.24 157.86 15.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 109.995 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -89.79 126.5 8.31 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.43 1.081 . . . . 0.0 111.023 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.2 t -162.17 135.45 6.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 0.765 . . . . 0.0 110.015 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 90.2 p -80.78 172.57 13.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 109.984 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -119.31 112.43 2.28 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.519 1.137 . . . . 0.0 110.992 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 176.05 93.36 0.1 OUTLIER Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.51 0.77 . . . . 0.0 109.272 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 56.68 4.34 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.493 1.786 . . . . 0.0 111.026 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 55.41 169.22 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.436 1.085 . . . . 0.0 110.324 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 63.58 157.08 0.07 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.113 . . . . 0.0 110.295 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 2.1 mtp180 57.34 101.84 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 110.279 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 16.2 p30 -123.21 161.92 23.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 109.335 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 40.6 mt -49.08 163.66 0.08 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 109.329 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 43.6 p -112.15 163.88 13.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.118 . . . . 0.0 110.373 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -43.72 -56.77 3.58 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.533 1.146 . . . . 0.0 110.318 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -42.03 -64.54 0.57 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.535 1.147 . . . . 0.0 110.296 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 86.7 mt-30 -50.83 -59.17 4.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 110.328 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.401 ' O ' ' C ' ' A' ' 20' ' ' GLU . 5.2 m -41.87 -65.51 0.44 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 110.392 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.401 ' C ' ' O ' ' A' ' 19' ' ' THR . 2.9 tt0 -39.0 -61.99 0.68 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.443 1.09 . . . . 0.0 110.3 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 7.1 mttt -41.68 -60.03 1.47 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.439 1.087 . . . . 0.0 109.318 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.467 ' CD2' ' HB3' ' A' ' 37' ' ' CYS . 1.1 mt -41.57 -54.15 3.28 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.488 1.118 . . . . 0.0 109.304 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.407 ' N ' HD23 ' A' ' 23' ' ' LEU . 5.8 mt -44.47 -63.42 0.9 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 0.0 109.291 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -45.56 -63.88 0.85 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 110.249 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.567 ' CZ ' HG22 ' A' ' 29' ' ' THR . 80.6 t80 -45.04 -59.75 2.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 111.02 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.442 ' O ' ' N ' ' A' ' 30' ' ' GLY . 1.0 OUTLIER -42.94 -59.15 2.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 0.0 110.298 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -51.9 -42.04 62.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 109.332 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 3.3 mt -63.94 -62.95 1.31 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 109.341 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.567 HG22 ' CZ ' ' A' ' 25' ' ' PHE . 74.6 p -62.71 -76.32 0.06 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.537 1.148 . . . . 0.0 110.395 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.442 ' N ' ' O ' ' A' ' 26' ' ' GLN . . . 116.59 14.01 7.72 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.463 1.102 . . . . 0.0 111.038 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.43 ' CD1' ' HD3' ' A' ' 55' ' ' ARG . 16.1 mt -67.8 135.81 27.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.428 0.723 . . . . 0.0 109.295 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -76.01 -61.0 2.08 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.543 1.152 . . . . 0.0 110.264 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -60.97 103.32 0.26 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.553 1.158 . . . . 0.0 110.055 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -47.19 -49.31 23.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 111.027 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -42.87 -55.97 3.46 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.46 1.1 . . . . 0.0 109.279 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 6.6 mt-30 -45.38 -42.82 10.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 110.331 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.467 ' HB3' ' CD2' ' A' ' 22' ' ' LEU . 1.3 m -65.71 -73.79 0.12 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.145 . . . . 0.0 108.264 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.423 ' HG3' ' CZ2' ' A' ' 46' ' ' TRP . 22.1 ttt180 -40.77 -29.97 0.11 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.135 . . . . 0.0 110.284 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.412 ' N ' ' C ' ' A' ' 37' ' ' CYS . 5.8 t60 -65.93 -55.38 17.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 109.616 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.483 HG23 ' CZ ' ' A' ' 25' ' ' PHE . 1.0 OUTLIER -60.75 -18.21 53.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 110.413 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.453 ' O ' ' N ' ' A' ' 44' ' ' HIS . 9.3 mt -91.27 -65.01 1.05 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.101 . . . . 0.0 109.297 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -42.26 -42.54 3.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 110.29 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . 0.41 ' HG3' ' N ' ' A' ' 44' ' ' HIS . 11.3 pt20 -57.53 -41.26 80.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 110.265 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.575 ' O ' ' CB ' ' A' ' 45' ' ' ASN . 54.6 m-70 -87.87 -9.45 53.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 109.614 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.575 ' CB ' ' O ' ' A' ' 44' ' ' HIS . 20.2 t30 88.04 36.38 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 109.295 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . 0.423 ' CZ2' ' HG3' ' A' ' 38' ' ' ARG . 88.4 m95 65.84 52.19 1.3 Allowed 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . 0.448 ' O ' ' N ' ' A' ' 50' ' ' ALA . 1.2 m-20 -116.7 81.98 1.72 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.565 1.166 . . . . 0.0 109.265 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.441 HG23 ' CG2' ' A' ' 52' ' ' VAL . 43.4 mt -43.18 -46.93 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.112 . . . . 0.0 109.316 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -49.01 -38.71 24.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.546 1.154 . . . . 0.0 110.326 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.495 ' CB ' ' ND1' ' A' ' 44' ' ' HIS . . . -89.46 -56.07 3.4 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 109.279 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.448 ' HB2' ' CE1' ' A' ' 25' ' ' PHE . . . -45.55 -45.84 13.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 109.29 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.441 ' CG2' HG23 ' A' ' 48' ' ' ILE . 37.6 t -54.54 -37.89 40.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.546 1.154 . . . . 0.0 109.326 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.447 ' NE2' ' CG ' ' A' ' 57' ' ' ASN . 11.1 tp60 -73.3 -63.44 1.19 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 110.311 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.425 ' HB2' ' NE2' ' A' ' 44' ' ' HIS . 0.9 OUTLIER -50.17 -23.28 2.08 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 109.295 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.473 ' HG2' ' CG2' ' A' ' 29' ' ' THR . 36.8 tpt85 -76.21 -48.19 21.27 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.452 1.095 . . . . 0.0 110.282 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -71.49 -38.67 71.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.105 . . . . 0.0 109.318 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.524 ' O ' ' CB ' ' A' ' 58' ' ' GLU . 1.2 m-20 -43.26 -61.13 1.42 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.267 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.524 ' CB ' ' O ' ' A' ' 57' ' ' ASN . 0.6 OUTLIER 87.74 -40.73 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 110.343 -179.964 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 1.4 pp0? -66.77 149.39 50.62 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.126 . . . . 0.0 110.271 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 66.31 95.94 0.06 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.124 . . . . 0.0 110.312 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -146.21 134.06 5.2 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.529 1.143 . . . . 0.0 110.986 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 3.8 t -135.75 120.78 18.76 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 0.753 . . . . 0.0 109.986 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -122.04 -84.65 0.74 Allowed Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.472 1.108 . . . . 0.0 110.995 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 148.83 35.85 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.528 1.804 . . . . 0.0 111.028 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 53.1 p -127.43 128.5 45.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 110.003 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -44.73 -58.72 2.9 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.469 1.105 . . . . 0.0 110.008 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.018 0 O-C-N 124.505 1.128 . . . . 0.0 111.01 179.982 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.8 t -149.87 152.43 35.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 0.782 . . . . 0.0 110.007 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 87.5 p -165.5 107.34 0.78 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 110.001 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 132.24 100.4 0.78 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.497 1.123 . . . . 0.0 111.007 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 97.7 p -167.0 137.45 3.07 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 0.77 . . . . 0.0 110.024 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -86.21 -58.84 2.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 109.994 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 75.31 133.62 0.37 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.493 1.12 . . . . 0.0 110.982 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -169.38 154.91 5.92 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.497 0.763 . . . . 0.0 109.291 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 88.06 1.27 Allowed 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.48 1.779 . . . . 0.0 111.045 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -91.35 114.31 26.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 110.344 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -72.24 148.16 45.77 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.127 . . . . 0.0 110.316 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -99.69 101.88 13.19 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.13 . . . . 0.0 110.28 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 5.8 t70 175.0 150.2 0.1 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 109.32 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 60.8 mt -130.14 164.11 25.16 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.526 1.142 . . . . 0.0 109.315 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 65.8 p -108.99 154.42 22.21 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 110.382 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 30.2 mt-30 -39.14 -59.47 1.01 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.546 1.154 . . . . 0.0 110.281 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -43.32 -61.77 1.25 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 110.297 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 75.6 mt-30 -49.45 -59.78 3.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.55 1.156 . . . . 0.0 110.295 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 19.4 m -41.05 -64.93 0.48 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.477 1.111 . . . . 0.0 110.429 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -39.56 -58.42 1.29 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 110.279 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 15.2 mttp -43.39 -59.68 2.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 0.0 109.293 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.468 ' CD2' ' HB3' ' A' ' 37' ' ' CYS . 1.3 mt -41.68 -54.3 3.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 109.3 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.411 ' N ' HD23 ' A' ' 23' ' ' LEU . 5.7 mt -44.55 -63.38 0.91 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 109.265 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -45.03 -67.54 0.28 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.501 1.125 . . . . 0.0 110.301 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.47 ' CZ ' HG22 ' A' ' 40' ' ' THR . 88.5 t80 -46.69 -45.17 19.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 110.967 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 -59.46 -45.73 90.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.456 1.098 . . . . 0.0 110.298 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -63.21 -41.64 99.18 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.556 1.16 . . . . 0.0 109.283 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.3 mt -66.0 -58.18 6.1 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 0.0 109.306 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 41.3 p -63.41 -73.12 0.12 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 110.442 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 110.67 21.41 6.82 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.48 1.112 . . . . 0.0 111.022 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.493 ' CD1' ' NE ' ' A' ' 55' ' ' ARG . 35.1 mt -74.8 128.68 36.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.484 0.755 . . . . 0.0 109.301 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -71.95 -39.15 69.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 110.31 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 5.5 m -80.01 107.41 12.77 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.461 1.101 . . . . 0.0 110.009 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.56 -52.8 60.95 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.143 . . . . 0.0 111.025 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -44.22 -52.06 7.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 0.0 109.351 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 8.1 mm100 -48.28 -42.44 30.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 110.309 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.468 ' HB3' ' CD2' ' A' ' 22' ' ' LEU . 1.2 m -66.68 -73.12 0.14 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.484 1.115 . . . . 0.0 108.332 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 5.5 ttm180 -38.63 -33.48 0.11 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.436 1.085 . . . . 0.0 110.313 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -63.51 -54.66 32.87 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.538 1.149 . . . . 0.0 109.597 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.47 HG22 ' CZ ' ' A' ' 25' ' ' PHE . 1.0 OUTLIER -61.26 -16.67 47.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 110.412 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.452 ' O ' ' N ' ' A' ' 44' ' ' HIS . 8.8 mt -91.61 -62.34 1.45 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 109.319 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.421 ' HG2' ' NE1' ' A' ' 46' ' ' TRP . 0.4 OUTLIER -45.78 -41.53 10.97 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 110.287 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . 0.484 ' HG3' ' CD2' ' A' ' 44' ' ' HIS . 11.8 pt20 -57.97 -32.86 68.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 110.274 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.56 ' O ' ' CB ' ' A' ' 45' ' ' ASN . 61.0 m-70 -97.58 -9.53 26.8 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 109.609 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.56 ' CB ' ' O ' ' A' ' 44' ' ' HIS . 16.5 t30 88.15 35.38 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.278 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . 0.421 ' NE1' ' HG2' ' A' ' 42' ' ' GLU . 88.6 m95 66.17 52.11 1.19 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.527 1.142 . . . . 0.0 107.993 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . 0.454 ' O ' ' N ' ' A' ' 50' ' ' ALA . 1.3 m-20 -115.96 81.63 1.63 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 0.0 109.272 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.412 HG21 ' CG2' ' A' ' 52' ' ' VAL . 43.9 mt -41.71 -46.89 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 0.0 109.335 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -48.94 -42.43 37.33 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 110.299 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.5 ' CB ' ' ND1' ' A' ' 44' ' ' HIS . . . -85.69 -55.01 4.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.47 1.106 . . . . 0.0 109.279 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.469 ' HB1' ' CE1' ' A' ' 25' ' ' PHE . . . -45.78 -48.5 15.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 109.283 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.412 ' CG2' HG21 ' A' ' 48' ' ' ILE . 41.9 t -56.66 -45.87 82.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.291 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.455 ' O ' ' N ' ' A' ' 57' ' ' ASN . 14.8 mm-40 -63.53 -68.42 0.35 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 110.319 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.429 ' HB2' ' NE2' ' A' ' 44' ' ' HIS . 0.2 OUTLIER -40.84 -36.71 0.67 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 109.276 179.987 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.493 ' NE ' ' CD1' ' A' ' 31' ' ' ILE . 6.8 tpt85 -65.17 -61.39 2.16 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.547 1.155 . . . . 0.0 110.321 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.413 ' O ' ' C ' ' A' ' 57' ' ' ASN . 0.4 OUTLIER -65.22 -60.81 2.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.115 . . . . 0.0 109.267 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.455 ' N ' ' O ' ' A' ' 53' ' ' GLN . 7.5 m-80 -39.34 -50.74 2.05 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.508 1.13 . . . . 0.0 109.286 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 43.58 67.71 0.61 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.472 1.108 . . . . 0.0 110.312 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 4.7 mm-40 52.91 99.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 110.254 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 -117.41 -56.97 2.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 110.302 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -151.76 103.85 0.25 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.548 1.155 . . . . 0.0 111.006 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 53.1 m -97.66 152.35 19.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 0.751 . . . . 0.0 109.97 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -118.88 158.1 14.99 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.536 1.148 . . . . 0.0 111.032 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 139.92 24.9 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.493 1.786 . . . . 0.0 110.986 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -154.22 92.45 1.52 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.988 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 53.06 87.57 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 110.01 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.968 0 O-C-N 124.444 1.09 . . . . 0.0 110.993 179.967 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.015 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.9 t 58.22 161.42 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 0.776 . . . . 0.0 109.969 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.2 t -155.24 98.41 1.99 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 110.0 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 77.81 140.42 1.45 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.544 1.153 . . . . 0.0 111.013 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.7 p -173.14 114.38 0.25 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.473 0.749 . . . . 0.0 109.946 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 58.27 102.4 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 0.0 109.987 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -92.98 65.75 1.93 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.472 1.108 . . . . 0.0 110.968 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -151.1 155.63 34.96 Favored Pre-proline 0 C--N 1.324 -0.524 0 O-C-N 124.463 0.743 . . . . 0.0 109.336 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 65.14 6.06 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.483 1.78 . . . . 0.0 111.057 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -148.66 179.51 7.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 110.294 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.406 ' O ' ' CG ' ' A' ' 11' ' ' GLU . 2.2 pt-20 -172.2 110.11 0.25 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 110.292 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -111.98 103.2 11.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 110.288 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -88.57 157.22 18.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.461 1.101 . . . . 0.0 109.292 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 8.1 mt -94.12 -178.44 4.63 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.535 1.147 . . . . 0.0 109.32 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 62.6 p -112.95 158.26 20.46 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.567 1.167 . . . . 0.0 110.426 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -44.3 -60.64 1.83 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.532 1.145 . . . . 0.0 110.286 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -40.83 -64.39 0.54 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 110.309 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 61.7 mt-30 -51.25 -59.13 4.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 110.294 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 5.2 m -42.56 -60.94 1.35 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 110.432 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -39.03 -55.39 1.58 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.123 . . . . 0.0 110.282 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 4.9 mttp -47.25 -54.55 10.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 0.0 109.338 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.466 ' CD2' ' HB3' ' A' ' 37' ' ' CYS . 0.6 OUTLIER -46.49 -56.2 6.34 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.477 1.11 . . . . 0.0 109.333 179.965 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.421 ' N ' HD23 ' A' ' 23' ' ' LEU . 5.4 mt -41.78 -60.51 1.35 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 109.296 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -45.95 -63.23 1.03 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.131 . . . . 0.0 110.29 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.521 ' CE1' ' HB1' ' A' ' 51' ' ' ALA . 64.0 t80 -44.86 -58.07 3.35 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 110.995 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.4 ' O ' ' C ' ' A' ' 27' ' ' ASP . 37.0 tt0 -44.91 -69.55 0.13 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 110.316 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.4 ' C ' ' O ' ' A' ' 26' ' ' GLN . 6.6 t0 -40.27 -48.31 2.6 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.1 . . . . 0.0 109.287 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 3.1 mt -58.67 -80.61 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 109.33 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.51 HG23 ' CZ ' ' A' ' 25' ' ' PHE . 70.2 p -38.83 -56.7 1.33 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.531 1.145 . . . . 0.0 110.375 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 103.52 17.51 17.13 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.491 1.119 . . . . 0.0 111.017 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 15.9 mt -72.57 151.81 7.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.476 0.751 . . . . 0.0 109.323 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -100.42 -33.95 10.15 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.556 1.16 . . . . 0.0 110.324 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -91.44 92.3 8.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 110.006 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' MET . . . . . 0.457 ' SD ' ' CD2' ' A' ' 22' ' ' LEU . 43.4 tpp -56.0 -16.9 5.51 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.455 1.097 . . . . 0.0 110.959 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -66.73 -32.03 73.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 109.326 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -83.75 -27.64 28.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 110.293 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.466 ' HB3' ' CD2' ' A' ' 22' ' ' LEU . 1.1 m -65.54 -64.49 0.85 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 108.321 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 10.9 ttt180 -42.39 -31.9 0.47 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.538 1.148 . . . . 0.0 110.305 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.44 ' CD2' ' C ' ' A' ' 39' ' ' HIS . 1.2 t60 -66.28 -53.64 34.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.547 1.154 . . . . 0.0 109.584 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.404 HG21 ' CZ ' ' A' ' 25' ' ' PHE . 1.7 m -59.49 -25.99 64.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.546 1.154 . . . . 0.0 110.424 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 7.9 mt -84.45 -67.35 0.8 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.475 1.109 . . . . 0.0 109.309 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.421 ' HG2' ' NE1' ' A' ' 46' ' ' TRP . 1.6 mm-40 -39.38 -45.6 1.49 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 110.313 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -52.56 -58.99 5.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.105 . . . . 0.0 110.296 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.544 ' O ' ' CB ' ' A' ' 45' ' ' ASN . 12.0 m-70 -71.8 -9.57 58.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.093 . . . . 0.0 109.657 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.544 ' CB ' ' O ' ' A' ' 44' ' ' HIS . 19.8 t30 87.04 56.64 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.473 1.108 . . . . 0.0 109.335 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . 0.421 ' NE1' ' HG2' ' A' ' 42' ' ' GLU . 82.3 m95 44.13 60.75 2.63 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.112 . . . . 0.0 108.01 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . 0.455 ' O ' ' N ' ' A' ' 50' ' ' ALA . 3.4 m-20 -125.92 80.72 1.93 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 109.273 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.408 ' C ' ' O ' ' A' ' 47' ' ' ASN . 45.9 mt -39.58 -50.96 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.294 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -45.99 -44.94 15.43 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 110.277 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.521 ' HB3' ' CG ' ' A' ' 44' ' ' HIS . . . -83.39 -57.26 3.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.304 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.521 ' HB1' ' CE1' ' A' ' 25' ' ' PHE . . . -42.15 -47.31 4.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 109.254 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 15.4 t -52.87 -45.35 50.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.149 . . . . 0.0 109.265 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.439 ' N ' ' O ' ' A' ' 50' ' ' ALA . 24.2 mm100 -63.41 -67.14 0.45 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 0.0 110.329 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.41 ' HB2' ' NE2' ' A' ' 44' ' ' HIS . 8.2 t0 -47.65 -24.98 1.03 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 0.0 109.306 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.477 ' HG2' ' CG2' ' A' ' 29' ' ' THR . 38.4 tpt85 -76.33 -56.44 4.64 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.437 1.085 . . . . 0.0 110.318 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.406 ' O ' ' N ' ' A' ' 59' ' ' GLN . 0.3 OUTLIER -67.19 -52.32 42.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.099 . . . . 0.0 109.296 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 6.8 m-80 -46.67 -55.27 8.0 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.557 1.161 . . . . 0.0 109.305 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 19.2 mt-10 -47.75 -24.17 0.89 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 110.292 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.406 ' N ' ' O ' ' A' ' 56' ' ' LEU . 2.1 tm0? -76.66 -64.48 1.11 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 110.262 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -147.06 126.97 13.55 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 110.297 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 171.02 -134.46 3.12 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.507 1.129 . . . . 0.0 111.015 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 27.9 t 178.54 136.57 0.09 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.559 0.799 . . . . 0.0 109.982 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -133.04 157.41 22.65 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.481 1.113 . . . . 0.0 111.018 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 87.14 1.34 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.485 1.782 . . . . 0.0 111.02 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 3.4 t 61.45 178.52 0.11 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.566 1.166 . . . . 0.0 109.956 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -75.26 137.17 41.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 110.035 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.04 0 O-C-N 124.443 1.089 . . . . 0.0 110.97 -179.974 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 178.5 135.41 0.08 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 0.777 . . . . 0.0 110.022 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.7 p 56.85 166.55 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.133 . . . . 0.0 109.984 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -116.69 138.9 14.74 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.551 1.157 . . . . 0.0 110.982 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 49.2 p -147.34 119.97 8.57 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.522 0.777 . . . . 0.0 110.021 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -148.23 79.27 1.45 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.958 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 152.46 129.61 1.48 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.523 1.14 . . . . 0.0 110.998 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -120.77 161.05 41.96 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.485 0.756 . . . . 0.0 109.336 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 58.78 5.0 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.527 1.803 . . . . 0.0 111.02 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -100.08 132.11 45.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 110.282 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -99.69 76.86 2.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 110.318 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 19.1 ttm105 -92.64 106.15 18.18 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.106 . . . . 0.0 110.288 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 6.6 p30 -51.78 135.91 28.68 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.512 1.132 . . . . 0.0 109.346 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 16.4 mt -86.04 176.57 7.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 109.325 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 65.5 p -109.21 158.6 17.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.461 1.101 . . . . 0.0 110.398 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 31.0 mt-30 -47.91 -55.37 10.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 110.305 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -47.18 -61.63 1.8 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.127 . . . . 0.0 110.286 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.57 ' NE2' ' CE2' ' A' ' 46' ' ' TRP . 0.9 OUTLIER -52.66 -59.72 4.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 110.296 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.7 m -41.39 -63.36 0.71 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 110.429 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -41.51 -57.29 2.27 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.129 . . . . 0.0 110.286 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.9 mttp -45.01 -49.61 11.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.117 . . . . 0.0 109.304 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.474 ' CD2' ' HB3' ' A' ' 37' ' ' CYS . 1.1 mt -49.81 -57.61 7.02 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 109.304 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.415 ' N ' HD23 ' A' ' 23' ' ' LEU . 5.3 mt -41.82 -58.43 2.02 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 0.0 109.282 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -45.99 -69.37 0.13 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 110.305 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.53 ' CE1' ' HB1' ' A' ' 51' ' ' ALA . 87.5 t80 -44.42 -58.2 3.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.113 . . . . 0.0 111.044 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.435 ' O ' ' N ' ' A' ' 30' ' ' GLY . 38.8 tt0 -43.92 -69.17 0.14 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 110.292 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -41.89 -49.1 4.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 109.316 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.9 mt -58.79 -65.7 0.62 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.512 1.133 . . . . 0.0 109.305 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.473 HG23 ' CZ ' ' A' ' 25' ' ' PHE . 7.9 p -53.07 -72.36 0.06 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.545 1.153 . . . . 0.0 110.394 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.435 ' N ' ' O ' ' A' ' 26' ' ' GLN . . . 120.55 2.74 11.68 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.496 1.122 . . . . 0.0 110.956 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.508 ' CD1' ' NE ' ' A' ' 55' ' ' ARG . 21.5 mt -62.5 150.76 8.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.443 0.731 . . . . 0.0 109.3 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 15.8 tt0 -97.47 -54.15 3.23 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.564 1.165 . . . . 0.0 110.289 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.0 m -66.53 93.76 0.25 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.523 1.14 . . . . 0.0 109.994 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 1.4 mmt -37.99 -43.46 0.72 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 111.005 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 28.7 m-20 -47.06 -53.99 11.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.547 1.154 . . . . 0.0 109.28 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 15.1 mt-30 -49.89 -36.32 26.91 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.506 1.129 . . . . 0.0 110.295 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.474 ' HB3' ' CD2' ' A' ' 22' ' ' LEU . 1.7 m -72.25 -72.75 0.22 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 108.334 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.417 ' HG3' ' CZ2' ' A' ' 46' ' ' TRP . 7.2 ttt180 -38.68 -29.99 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 110.279 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.445 ' N ' ' O ' ' A' ' 37' ' ' CYS . 6.4 t60 -63.15 -66.93 0.47 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 109.622 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 1.2 m -50.3 -25.55 3.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.571 1.169 . . . . 0.0 110.419 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 13.6 mt -82.19 -69.07 0.65 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.482 1.114 . . . . 0.0 109.309 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -38.41 -47.67 1.27 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 110.294 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -50.52 -64.35 0.84 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 110.323 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.554 ' O ' ' CB ' ' A' ' 45' ' ' ASN . 3.5 m-70 -67.55 -9.39 42.23 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.501 1.125 . . . . 0.0 109.557 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.554 ' CB ' ' O ' ' A' ' 44' ' ' HIS . 1.3 m-20 85.82 59.86 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.474 1.109 . . . . 0.0 109.291 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . 0.57 ' CE2' ' NE2' ' A' ' 18' ' ' GLN . 83.9 m95 43.52 62.82 1.75 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 108.012 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . 0.455 ' O ' ' N ' ' A' ' 50' ' ' ALA . 1.5 m-20 -127.63 78.55 1.83 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 109.297 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 39.9 mt -41.66 -47.95 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.436 1.085 . . . . 0.0 109.307 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -48.49 -41.31 29.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 110.261 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.534 ' HB3' ' CE1' ' A' ' 44' ' ' HIS . . . -86.67 -54.86 4.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 109.326 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.53 ' HB1' ' CE1' ' A' ' 25' ' ' PHE . . . -46.37 -49.75 17.4 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.554 1.159 . . . . 0.0 109.288 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.448 ' O ' ' CD1' ' A' ' 56' ' ' LEU . 39.4 t -53.06 -32.87 19.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.522 1.139 . . . . 0.0 109.243 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.455 ' N ' ' O ' ' A' ' 50' ' ' ALA . 0.8 OUTLIER -83.48 -67.25 0.81 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 110.286 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.459 ' HB2' ' CD2' ' A' ' 44' ' ' HIS . 23.8 t0 -40.11 -29.74 0.08 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.441 1.088 . . . . 0.0 109.252 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.508 ' NE ' ' CD1' ' A' ' 31' ' ' ILE . 1.2 tpt85 -71.99 -56.02 6.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 110.265 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.448 ' CD1' ' O ' ' A' ' 52' ' ' VAL . 0.5 OUTLIER -67.86 -45.12 75.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 0.0 109.255 -179.934 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 15.1 m-20 -63.51 -37.57 87.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.113 . . . . 0.0 109.318 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -125.22 79.83 1.83 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 110.338 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 14.5 pt20 -96.51 134.38 39.78 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.453 1.096 . . . . 0.0 110.31 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -83.7 88.07 7.06 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.512 1.132 . . . . 0.0 110.285 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -116.85 -99.85 2.12 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.491 1.119 . . . . 0.0 111.015 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.5 m -160.04 152.13 20.52 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 0.777 . . . . 0.0 110.018 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 134.09 78.93 0.12 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.495 1.122 . . . . 0.0 110.988 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 155.31 42.86 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.522 1.801 . . . . 0.0 111.032 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 30.1 t -82.99 160.24 22.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 110.014 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 7.8 t 62.23 85.83 0.12 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 109.996 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.976 0 O-C-N 124.493 1.121 . . . . 0.0 110.972 179.999 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.047 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.2 m -148.14 85.61 1.54 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.542 0.789 . . . . 0.0 110.0 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 38.3 m -97.71 -58.68 1.94 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.997 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -66.06 -132.86 0.02 OUTLIER Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.471 1.107 . . . . 0.0 110.983 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -118.18 -58.11 2.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 0.754 . . . . 0.0 110.006 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -175.17 141.89 0.59 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 110.002 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 69.61 177.41 18.1 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.508 1.13 . . . . 0.0 110.968 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -109.89 161.1 25.62 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.529 0.782 . . . . 0.0 109.299 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -90.21 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.514 1.797 . . . . 0.0 111.019 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -172.39 144.06 1.49 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 110.307 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -64.86 102.24 0.57 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 0.0 110.345 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 6.2 mtt85 -114.81 149.64 36.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.112 . . . . 0.0 110.341 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -98.81 152.99 19.11 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 109.303 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 23.5 mt -110.1 176.91 4.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 109.256 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' THR . . . . . 0.404 ' O ' ' C ' ' A' ' 16' ' ' GLN . 72.4 p -114.91 151.99 33.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 110.392 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.404 ' C ' ' O ' ' A' ' 15' ' ' THR . 0.0 OUTLIER -38.78 -59.71 0.92 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 0.0 110.298 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -43.12 -60.64 1.58 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.139 . . . . 0.0 110.304 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 45.8 mt-30 -55.45 -62.72 1.49 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.443 1.09 . . . . 0.0 110.318 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 24.4 m -41.76 -59.06 1.78 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 110.377 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -43.1 -62.14 1.12 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 0.0 110.338 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.7 mttp -40.86 -47.98 3.02 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.448 1.092 . . . . 0.0 109.293 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.469 ' CD2' ' HB3' ' A' ' 37' ' ' CYS . 0.4 OUTLIER -50.57 -59.03 4.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.315 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.424 ' N ' HD22 ' A' ' 23' ' ' LEU . 4.6 mt -41.87 -56.17 2.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 109.308 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -46.51 -69.1 0.14 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 110.324 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.564 ' CZ ' HG22 ' A' ' 29' ' ' THR . 74.2 t80 -41.56 -60.73 1.23 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.472 1.107 . . . . 0.0 111.041 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.431 ' O ' ' N ' ' A' ' 30' ' ' GLY . 38.0 tt0 -40.67 -68.91 0.15 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.534 1.147 . . . . 0.0 110.326 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 11.1 t0 -43.02 -50.18 5.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 109.314 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 3.0 mt -58.01 -73.77 0.07 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.509 1.131 . . . . 0.0 109.298 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.564 HG22 ' CZ ' ' A' ' 25' ' ' PHE . 12.0 p -44.36 -64.24 0.72 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.517 1.136 . . . . 0.0 110.436 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.431 ' N ' ' O ' ' A' ' 26' ' ' GLN . . . 110.96 17.23 9.13 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.495 1.122 . . . . 0.0 111.056 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.541 ' CD1' ' NE ' ' A' ' 55' ' ' ARG . 32.5 mt -77.37 147.34 7.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.5 0.765 . . . . 0.0 109.328 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -87.49 -58.34 2.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 110.296 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 9.0 m -67.17 122.34 17.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 110.03 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' MET . . . . . 0.427 ' O ' ' N ' ' A' ' 37' ' ' CYS . 2.8 mmt -62.53 -47.24 84.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.546 1.154 . . . . 0.0 110.957 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 11.2 t0 -44.15 -52.25 7.45 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.552 1.158 . . . . 0.0 109.324 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 4.6 mm100 -52.78 -35.72 56.99 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.535 1.147 . . . . 0.0 110.351 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.469 ' HB3' ' CD2' ' A' ' 22' ' ' LEU . 1.7 m -72.51 -73.13 0.21 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.154 . . . . 0.0 108.3 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.408 ' C ' ' O ' ' A' ' 37' ' ' CYS . 0.4 OUTLIER -37.52 -31.91 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.565 1.166 . . . . 0.0 110.262 -179.978 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.447 ' N ' ' O ' ' A' ' 37' ' ' CYS . 13.2 t-160 -61.27 -64.21 1.03 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 0.0 109.597 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.543 HG21 ' CZ ' ' A' ' 25' ' ' PHE . 1.3 m -51.99 -30.32 24.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 110.376 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.401 ' O ' ' C ' ' A' ' 42' ' ' GLU . 11.9 mt -77.36 -69.12 0.55 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 0.0 109.315 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.401 ' C ' ' O ' ' A' ' 41' ' ' LEU . 2.1 mm-40 -38.17 -45.92 1.0 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 0.0 110.333 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -49.79 -65.29 0.59 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 110.289 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.573 ' O ' ' CB ' ' A' ' 45' ' ' ASN . 12.5 m-70 -67.56 -9.65 44.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.104 . . . . 0.0 109.592 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.573 ' CB ' ' O ' ' A' ' 44' ' ' HIS . 21.9 t30 87.37 57.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.146 . . . . 0.0 109.317 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 82.4 m95 46.06 61.71 2.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 107.997 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . 0.456 ' O ' ' N ' ' A' ' 50' ' ' ALA . 2.9 m-20 -127.38 79.2 1.87 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.478 1.111 . . . . 0.0 109.253 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.443 ' CG2' HG21 ' A' ' 52' ' ' VAL . 29.3 mt -40.39 -48.39 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.543 1.152 . . . . 0.0 109.305 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -48.12 -43.98 31.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 110.309 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.512 ' HB2' ' CG ' ' A' ' 44' ' ' HIS . . . -84.26 -54.81 4.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.293 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.446 ' HB2' ' CE1' ' A' ' 25' ' ' PHE . . . -45.17 -49.26 12.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.53 1.143 . . . . 0.0 109.316 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.443 HG21 ' CG2' ' A' ' 48' ' ' ILE . 37.7 t -51.75 -36.47 18.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 109.277 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.445 ' N ' ' O ' ' A' ' 50' ' ' ALA . 12.4 tp60 -77.86 -65.64 0.94 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.144 . . . . 0.0 110.318 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.543 ' HB2' ' CD2' ' A' ' 44' ' ' HIS . 5.9 t70 -39.99 -30.22 0.09 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.535 1.147 . . . . 0.0 109.289 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.541 ' NE ' ' CD1' ' A' ' 31' ' ' ILE . 4.7 tpt85 -72.54 -56.5 5.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.133 . . . . 0.0 110.265 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -69.51 -12.77 61.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 109.346 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.433 ' N ' ' O ' ' A' ' 53' ' ' GLN . 1.0 OUTLIER -63.93 -50.43 68.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 109.283 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.401 ' C ' ' O ' ' A' ' 57' ' ' ASN . 0.4 OUTLIER 39.0 70.95 0.18 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.443 1.089 . . . . 0.0 110.283 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 6.9 mp0 55.09 -178.52 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.11 . . . . 0.0 110.286 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -87.4 117.98 26.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 110.304 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -50.16 164.09 0.7 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.502 1.126 . . . . 0.0 111.006 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 5.7 t -78.97 141.42 37.53 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 0.75 . . . . 0.0 110.009 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -62.28 176.67 6.17 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.55 1.156 . . . . 0.0 110.968 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 102.23 1.56 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.514 1.797 . . . . 0.0 110.971 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 73.1 m -158.44 88.97 0.95 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.135 . . . . 0.0 110.0 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 6.1 t 63.13 138.44 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.104 . . . . 0.0 109.973 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 O-C-N 124.455 1.097 . . . . 0.0 110.99 179.981 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.965 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -101.34 131.72 47.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.461 0.742 . . . . 0.0 109.95 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -89.93 -58.5 2.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 110.009 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 164.92 140.57 2.9 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.558 1.161 . . . . 0.0 110.946 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 28.3 t 61.56 105.41 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.463 0.743 . . . . 0.0 109.996 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -132.67 106.46 7.8 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.132 . . . . 0.0 110.019 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 127.07 -93.14 0.39 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.45 1.094 . . . . 0.0 110.979 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 58.67 163.59 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.497 0.763 . . . . 0.0 109.296 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 59.32 5.14 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.466 1.772 . . . . 0.0 110.971 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 56.31 170.66 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.472 1.107 . . . . 0.0 110.291 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 62.4 mt-10 -61.71 140.82 58.15 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 110.316 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.55 164.24 15.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 110.29 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 61.6 160.44 0.06 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 109.291 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 8.8 mt -74.72 172.78 11.51 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.442 1.089 . . . . 0.0 109.287 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 19.7 p -97.5 149.08 22.57 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.499 1.124 . . . . 0.0 110.383 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -39.45 -59.14 1.13 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 0.0 110.308 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 31.4 mt-10 -46.55 -67.59 0.27 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 110.309 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 58.0 mt-30 -39.76 -62.79 0.66 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.517 1.136 . . . . 0.0 110.281 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 8.5 m -41.37 -56.7 2.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.127 . . . . 0.0 110.418 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -46.06 -57.87 4.09 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.553 1.158 . . . . 0.0 110.304 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.4 mttt -44.43 -47.83 9.9 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.458 1.098 . . . . 0.0 109.267 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.468 ' CD2' ' HB3' ' A' ' 37' ' ' CYS . 0.2 OUTLIER -50.89 -57.28 8.88 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 109.26 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.421 ' N ' HD22 ' A' ' 23' ' ' LEU . 4.6 mt -43.62 -54.83 4.7 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.532 1.145 . . . . 0.0 109.311 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -49.62 -67.86 0.23 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.448 1.093 . . . . 0.0 110.308 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.556 ' CE1' ' HB2' ' A' ' 51' ' ' ALA . 34.7 t80 -41.46 -60.56 1.26 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 110.996 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.443 ' O ' ' N ' ' A' ' 30' ' ' GLY . 25.0 tt0 -47.8 -72.56 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.149 . . . . 0.0 110.297 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.407 ' C ' ' O ' ' A' ' 26' ' ' GLN . 0.4 OUTLIER -40.09 -47.25 2.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.247 -179.922 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 5.2 mt -60.67 -74.15 0.08 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.297 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.409 ' OG1' ' N ' ' A' ' 30' ' ' GLY . 69.8 p -48.1 -68.42 0.19 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 110.388 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 26' ' ' GLN . . . 116.85 13.53 7.82 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.533 1.146 . . . . 0.0 111.028 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.403 ' O ' ' C ' ' A' ' 32' ' ' GLU . 10.3 mt -71.95 96.95 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.536 0.786 . . . . 0.0 109.281 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.403 ' C ' ' O ' ' A' ' 31' ' ' ILE . 1.6 mt-10 -38.62 -62.68 0.58 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 110.338 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.8 m -54.99 131.77 45.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 109.945 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' MET . . . . . 0.404 ' O ' ' N ' ' A' ' 37' ' ' CYS . 1.7 tpt -75.94 -56.05 5.03 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.5 1.125 . . . . 0.0 110.965 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -48.11 -40.88 24.85 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 109.271 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 16.6 mm100 -57.79 -33.99 69.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.457 1.098 . . . . 0.0 110.313 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.468 ' HB3' ' CD2' ' A' ' 22' ' ' LEU . 0.8 OUTLIER -73.98 -73.84 0.21 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.113 . . . . 0.0 108.319 179.95 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.402 ' C ' ' O ' ' A' ' 37' ' ' CYS . 2.6 ttp180 -38.66 -38.75 0.43 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.542 1.151 . . . . 0.0 110.35 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 2.5 t60 -46.32 -60.6 2.23 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.444 1.09 . . . . 0.0 109.635 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.465 ' OG1' ' NH1' ' A' ' 55' ' ' ARG . 1.8 m -56.61 -61.03 2.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 110.42 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.464 HD13 ' CD2' ' A' ' 25' ' ' PHE . 8.2 mt -42.18 -64.91 0.52 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 109.317 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.401 ' C ' ' O ' ' A' ' 41' ' ' LEU . 0.0 OUTLIER -38.09 -52.9 1.42 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 110.308 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -55.9 -57.42 12.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.567 1.167 . . . . 0.0 110.286 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.56 ' O ' ' CB ' ' A' ' 45' ' ' ASN . 12.5 m-70 -62.76 -13.25 30.69 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.123 . . . . 0.0 109.593 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.56 ' CB ' ' O ' ' A' ' 44' ' ' HIS . 27.0 t30 86.8 42.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 0.0 109.312 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 91.6 m95 57.28 55.34 5.94 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.111 . . . . 0.0 108.004 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . 0.437 ' O ' ' N ' ' A' ' 50' ' ' ALA . 1.0 OUTLIER -121.29 76.73 1.26 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 109.291 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.455 ' CG2' HG21 ' A' ' 52' ' ' VAL . 19.7 mt -39.34 -51.93 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 109.315 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -46.5 -46.33 19.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 110.3 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.437 ' N ' ' O ' ' A' ' 47' ' ' ASN . . . -79.49 -59.61 2.69 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.482 1.113 . . . . 0.0 109.288 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.556 ' HB2' ' CE1' ' A' ' 25' ' ' PHE . . . -41.41 -51.38 3.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 109.31 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.47 ' CG1' ' CD1' ' A' ' 56' ' ' LEU . 6.8 t -48.72 -55.34 3.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.293 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.491 ' O ' ' CB ' ' A' ' 57' ' ' ASN . 0.9 OUTLIER -60.74 -24.16 65.5 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.462 1.101 . . . . 0.0 110.268 -179.981 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.509 ' OD2' ' CD2' ' A' ' 44' ' ' HIS . 9.5 t0 -66.2 -25.13 66.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.318 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.465 ' NH1' ' OG1' ' A' ' 40' ' ' THR . 1.9 mmm180 -93.6 -51.61 4.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 110.351 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.47 ' CD1' ' CG1' ' A' ' 52' ' ' VAL . 1.8 mp -70.76 -15.5 62.68 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 0.0 109.294 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.491 ' CB ' ' O ' ' A' ' 53' ' ' GLN . 1.7 m-20 -45.69 -58.21 3.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.296 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER 43.76 63.4 1.59 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.143 . . . . 0.0 110.302 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.425 ' O ' ' N ' ' A' ' 61' ' ' GLY . 77.9 mt-30 54.6 78.31 0.17 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.528 1.142 . . . . 0.0 110.265 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 68.3 -68.01 0.18 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 110.332 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . 0.425 ' N ' ' O ' ' A' ' 59' ' ' GLN . . . 106.58 -144.76 15.88 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.48 1.112 . . . . 0.0 110.973 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 6.4 t -87.51 138.63 31.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 0.785 . . . . 0.0 109.983 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 99.61 86.84 1.91 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.518 1.136 . . . . 0.0 110.965 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -40.23 0.95 Allowed 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.485 1.782 . . . . 0.0 110.995 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 28.4 t -131.32 118.29 20.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.143 . . . . 0.0 110.019 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 30.8 m 59.4 80.43 0.2 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.487 1.117 . . . . 0.0 110.003 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.956 0 O-C-N 124.51 1.131 . . . . 0.0 111.004 179.977 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 16.9 p . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 110.373 -0.232 . . . . 0.0 110.373 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -43.72 -61.42 1.42 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.562 1.164 . . . . 0.0 110.335 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 19.7 tt0 -43.73 -64.34 0.68 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.521 1.138 . . . . 0.0 110.265 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.483 ' NE2' ' CE2' ' A' ' 46' ' ' TRP . 69.0 mt-30 -47.96 -60.12 2.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.145 . . . . 0.0 110.329 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 7.7 m -39.67 -58.97 1.22 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 110.451 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -47.38 -55.63 8.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 110.285 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.546 ' O ' HD11 ' A' ' 48' ' ' ILE . 16.0 mttp -44.77 -48.43 10.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.296 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.601 HD13 ' HE2' ' A' ' 34' ' ' MET . 1.8 mt -51.49 -59.34 4.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 109.311 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.445 HD23 ' N ' ' A' ' 23' ' ' LEU . 5.0 mt -40.56 -52.9 2.8 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 0.0 109.279 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.559 ' OE1' HD11 ' A' ' 28' ' ' LEU . 0.0 OUTLIER -52.93 -68.02 0.2 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 110.309 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.684 ' CZ ' HG21 ' A' ' 29' ' ' THR . 51.3 t80 -44.97 -57.33 3.88 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 111.033 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.431 ' O ' ' N ' ' A' ' 30' ' ' GLY . 1.1 tt0 -42.81 -58.54 2.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.105 . . . . 0.0 110.298 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -55.85 -55.13 36.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.132 . . . . 0.0 109.309 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.559 HD11 ' OE1' ' A' ' 24' ' ' GLN . 3.1 mt -50.28 -69.15 0.12 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 109.242 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.684 HG21 ' CZ ' ' A' ' 25' ' ' PHE . 29.5 p -53.61 -71.36 0.07 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 110.41 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.431 ' N ' ' O ' ' A' ' 26' ' ' GLN . . . 115.36 13.87 8.66 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.517 1.136 . . . . 0.0 110.981 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 12.5 mt -70.1 149.32 10.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.507 0.769 . . . . 0.0 109.328 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 15.6 tt0 -92.3 -57.9 2.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 110.306 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.8 m -60.22 100.07 0.09 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.541 1.151 . . . . 0.0 110.012 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' MET . . . . . 0.601 ' HE2' HD13 ' A' ' 22' ' ' LEU . 0.7 OUTLIER -44.26 -48.44 9.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 0.0 110.996 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -48.21 -53.32 17.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 109.331 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 9.8 mm100 -47.67 -43.49 26.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 0.0 110.282 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.465 ' HB3' ' CD2' ' A' ' 22' ' ' LEU . 1.3 m -60.72 -73.58 0.09 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 108.305 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.505 ' HG3' ' CZ2' ' A' ' 46' ' ' TRP . 4.9 ttp180 -40.52 -34.72 0.38 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.455 1.097 . . . . 0.0 110.284 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 8.9 t-160 -53.95 -70.4 0.1 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.134 . . . . 0.0 109.594 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.824 HG22 ' HB1' ' A' ' 51' ' ' ALA . 1.3 m -46.46 -33.85 4.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 0.0 110.419 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.428 HD21 ' CG1' ' A' ' 48' ' ' ILE . 7.9 mt -70.58 -68.38 0.43 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.12 . . . . 0.0 109.284 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.434 ' OE2' ' NE1' ' A' ' 46' ' ' TRP . 5.3 mm-40 -38.11 -50.62 1.39 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 110.288 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 1.3 mm-40 -50.26 -64.17 0.89 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.446 1.091 . . . . 0.0 110.337 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.821 ' CE1' ' HB1' ' A' ' 50' ' ' ALA . 3.7 m-70 -65.0 -11.83 43.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.579 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.538 ' CB ' ' O ' ' A' ' 44' ' ' HIS . 2.1 t-20 86.38 58.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.27 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' TRP . . . . . 0.505 ' CZ2' ' HG3' ' A' ' 38' ' ' ARG . 85.3 m95 43.93 58.74 3.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 107.985 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ASN . . . . . 0.445 ' O ' ' N ' ' A' ' 50' ' ' ALA . 2.0 m-20 -124.92 75.92 1.48 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.108 . . . . 0.0 109.277 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.546 HD11 ' O ' ' A' ' 21' ' ' LYS . 64.7 mt -40.4 -48.38 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 109.323 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.487 ' O ' ' NE2' ' A' ' 53' ' ' GLN . 0.3 OUTLIER -46.8 -44.27 19.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.151 . . . . 0.0 110.312 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.821 ' HB1' ' CE1' ' A' ' 44' ' ' HIS . . . -85.83 -57.13 3.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 109.279 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.824 ' HB1' HG22 ' A' ' 40' ' ' THR . . . -42.34 -43.19 3.43 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 109.306 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.465 HG23 ' O ' ' A' ' 48' ' ' ILE . 13.5 t -57.31 -50.9 75.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.512 1.133 . . . . 0.0 109.295 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.487 ' NE2' ' O ' ' A' ' 49' ' ' GLU . 2.6 mp0 . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.538 1.149 . . . . 0.0 110.27 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 34.9 p . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 110.398 -0.223 . . . . 0.0 110.398 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -39.08 -56.62 1.41 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 0.0 110.32 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -44.92 -59.93 2.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 110.297 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 72.3 mt-30 -49.21 -59.48 3.63 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 110.273 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 5.7 m -39.16 -59.46 1.01 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 0.0 110.412 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -45.23 -60.56 2.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.455 1.097 . . . . 0.0 110.334 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 7.8 mttm -40.43 -49.61 2.85 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 1.139 . . . . 0.0 109.305 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.471 HD13 ' CE ' ' A' ' 34' ' ' MET . 1.7 mt -50.38 -60.14 3.29 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 109.331 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.435 HD23 ' N ' ' A' ' 23' ' ' LEU . 4.9 mt -40.33 -51.94 2.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.152 . . . . 0.0 109.303 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -51.63 -67.91 0.21 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 110.286 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.617 ' CZ ' HG21 ' A' ' 29' ' ' THR . 70.2 t80 -49.39 -44.46 45.04 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.531 1.145 . . . . 0.0 111.004 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 -54.95 -42.63 72.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 110.337 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -70.73 -51.6 26.25 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.504 1.127 . . . . 0.0 109.315 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.7 mt -50.92 -68.59 0.16 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.45 1.094 . . . . 0.0 109.274 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.617 HG21 ' CZ ' ' A' ' 25' ' ' PHE . 70.0 p -57.63 -70.2 0.14 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.107 . . . . 0.0 110.369 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 113.58 21.3 5.82 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.46 1.1 . . . . 0.0 110.988 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 12.5 mt -73.94 156.1 6.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.491 0.759 . . . . 0.0 109.315 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -101.34 -51.7 3.42 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.485 1.116 . . . . 0.0 110.318 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 20.1 m -65.9 98.95 0.44 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.44 1.087 . . . . 0.0 109.966 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' MET . . . . . 0.471 ' CE ' HD13 ' A' ' 22' ' ' LEU . 0.0 OUTLIER -44.32 -40.92 5.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 111.004 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -54.22 -50.25 67.57 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 0.0 109.292 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 12.3 mm100 -51.81 -39.77 59.32 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.133 . . . . 0.0 110.335 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.459 ' HB3' ' CD2' ' A' ' 22' ' ' LEU . 1.7 m -66.71 -73.72 0.13 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.555 1.16 . . . . 0.0 108.334 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -38.73 -34.3 0.14 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 110.299 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 3.0 t-80 -59.0 -64.59 0.89 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.448 1.093 . . . . 0.0 109.611 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.86 HG22 ' HB1' ' A' ' 51' ' ' ALA . 1.6 m -50.85 -37.21 41.85 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 110.367 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 9.0 mt -70.09 -69.19 0.37 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.45 1.094 . . . . 0.0 109.285 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.439 ' OE2' ' NE1' ' A' ' 46' ' ' TRP . 7.4 mm-40 -38.77 -46.33 1.25 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.544 1.152 . . . . 0.0 110.305 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.07 -64.64 0.75 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 110.307 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.68 ' ND1' ' HB1' ' A' ' 50' ' ' ALA . 14.5 m-70 -68.28 -9.71 49.53 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.457 1.098 . . . . 0.0 109.583 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.56 ' CB ' ' O ' ' A' ' 44' ' ' HIS . 1.5 t30 86.55 58.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 0.0 109.335 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' TRP . . . . . 0.439 ' NE1' ' OE2' ' A' ' 42' ' ' GLU . 83.3 m95 45.25 59.82 3.33 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.515 1.134 . . . . 0.0 108.002 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ASN . . . . . 0.449 ' O ' ' N ' ' A' ' 50' ' ' ALA . 1.1 m120 -126.67 78.07 1.76 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.291 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.453 HG23 HG23 ' A' ' 52' ' ' VAL . 63.1 mt -40.25 -49.13 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.108 . . . . 0.0 109.288 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -46.7 -44.45 18.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 110.279 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.68 ' HB1' ' ND1' ' A' ' 44' ' ' HIS . . . -84.97 -57.53 3.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 0.0 109.298 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.86 ' HB1' HG22 ' A' ' 40' ' ' THR . . . -42.2 -45.36 4.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 109.322 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.453 HG23 HG23 ' A' ' 48' ' ' ILE . 13.3 t -54.83 -47.74 74.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.261 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.418 ' N ' ' O ' ' A' ' 50' ' ' ALA . 2.4 mm-40 . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 110.284 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 74.1 p . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 110.411 -0.218 . . . . 0.0 110.411 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.3 tp60 -47.47 -60.43 2.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 110.299 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 -42.47 -62.16 1.04 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 0.0 110.278 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 12.9 mm-40 -48.35 -59.38 3.5 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.453 1.096 . . . . 0.0 110.302 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 23.5 m -42.56 -59.85 1.74 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 110.402 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -41.34 -59.11 1.64 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.546 1.153 . . . . 0.0 110.316 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.641 ' O ' HD11 ' A' ' 48' ' ' ILE . 0.8 OUTLIER -43.7 -47.03 7.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 109.252 -179.97 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.834 HD13 ' HE3' ' A' ' 34' ' ' MET . 1.1 mt -52.97 -59.44 4.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.137 . . . . 0.0 109.318 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.443 HD23 ' N ' ' A' ' 23' ' ' LEU . 5.0 mt -40.13 -52.49 2.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 109.308 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.474 ' C ' HD12 ' A' ' 28' ' ' LEU . 2.7 mm-40 -50.29 -67.88 0.22 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.479 1.112 . . . . 0.0 110.291 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.766 ' CZ ' HG21 ' A' ' 29' ' ' THR . 69.5 t80 -46.28 -60.19 2.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.553 1.158 . . . . 0.0 110.991 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.449 ' O ' ' N ' ' A' ' 30' ' ' GLY . 0.7 OUTLIER -40.95 -58.41 1.72 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.13 . . . . 0.0 110.264 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -55.43 -53.72 52.71 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 109.28 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.474 HD12 ' C ' ' A' ' 24' ' ' GLN . 3.6 mt -52.35 -67.85 0.22 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.142 . . . . 0.0 109.281 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.766 HG21 ' CZ ' ' A' ' 25' ' ' PHE . 34.5 p -54.47 -71.4 0.08 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 110.411 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 26' ' ' GLN . . . 112.77 10.66 16.0 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.496 1.123 . . . . 0.0 111.057 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.441 HG21 ' HB2' ' A' ' 36' ' ' GLN . 21.7 mt -61.97 153.71 5.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.513 0.772 . . . . 0.0 109.316 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 16.4 tt0 -99.54 -56.72 2.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 110.316 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.438 ' O ' ' N ' ' A' ' 36' ' ' GLN . 0.3 OUTLIER -62.86 90.8 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.996 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 34' ' ' MET . . . . . 0.834 ' HE3' HD13 ' A' ' 22' ' ' LEU . 0.0 OUTLIER -38.01 -45.39 0.89 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 0.0 111.026 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -44.25 -47.08 9.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.128 . . . . 0.0 109.247 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.441 ' HB2' HG21 ' A' ' 31' ' ' ILE . 64.5 mt-30 -56.85 -47.51 80.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 110.311 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.48 ' HB3' ' CD2' ' A' ' 22' ' ' LEU . 6.1 m -51.83 -73.98 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 108.298 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -41.0 -38.58 1.0 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.491 1.12 . . . . 0.0 110.338 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 7.3 t-160 -54.84 -71.94 0.07 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.461 1.101 . . . . 0.0 109.576 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' THR . . . . . 1.025 HG22 ' HB1' ' A' ' 51' ' ' ALA . 1.4 m -42.39 -46.13 4.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.107 . . . . 0.0 110.428 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.418 HD21 HG12 ' A' ' 48' ' ' ILE . 16.6 mt -62.82 -72.01 0.15 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.477 1.111 . . . . 0.0 109.284 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.4 ' C ' ' O ' ' A' ' 41' ' ' LEU . 1.8 mm-40 -38.03 -44.89 0.85 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 110.343 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 1.5 mm-40 -50.68 -62.57 1.52 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 110.323 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.625 ' ND1' ' HB1' ' A' ' 50' ' ' ALA . 12.6 m-70 -71.37 -9.6 58.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.598 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.576 ' CB ' ' O ' ' A' ' 44' ' ' HIS . 11.3 t-20 87.7 57.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.117 . . . . 0.0 109.332 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 85.0 m95 46.72 56.72 6.25 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.515 1.135 . . . . 0.0 108.001 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ASN . . . . . 0.441 ' O ' ' N ' ' A' ' 50' ' ' ALA . 2.2 m-20 -123.56 78.0 1.55 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.12 . . . . 0.0 109.291 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.641 HD11 ' O ' ' A' ' 21' ' ' LYS . 56.2 mt -39.49 -52.1 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.554 1.159 . . . . 0.0 109.301 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -45.44 -45.25 12.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.457 1.098 . . . . 0.0 110.268 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.625 ' HB1' ' ND1' ' A' ' 44' ' ' HIS . . . -82.56 -58.48 2.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.283 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 1.025 ' HB1' HG22 ' A' ' 40' ' ' THR . . . -41.55 -49.21 4.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.452 1.095 . . . . 0.0 109.285 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 5.9 t -51.88 -46.14 40.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.521 1.138 . . . . 0.0 109.274 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.434 ' N ' ' O ' ' A' ' 50' ' ' ALA . 10.6 mm-40 . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 110.328 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 69.2 p . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 110.381 -0.229 . . . . 0.0 110.381 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -47.01 -58.43 3.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 0.0 110.294 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -43.35 -62.99 0.9 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 0.0 110.278 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 54.0 mt-30 -47.92 -60.89 2.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.457 1.098 . . . . 0.0 110.328 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.7 m -39.53 -60.82 0.89 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.446 1.091 . . . . 0.0 110.4 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -41.65 -61.12 1.15 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.493 1.121 . . . . 0.0 110.307 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 8.0 mttp -40.95 -50.27 3.27 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.114 . . . . 0.0 109.312 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.47 ' CD2' ' HB3' ' A' ' 37' ' ' CYS . 1.1 mt -49.5 -59.29 3.88 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.149 . . . . 0.0 109.293 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.444 HD23 ' N ' ' A' ' 23' ' ' LEU . 5.1 mt -40.79 -54.72 2.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 109.313 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 3.9 mm-40 -50.19 -67.95 0.21 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 0.0 110.303 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.717 ' CZ ' HG21 ' A' ' 29' ' ' THR . 72.4 t80 -46.46 -46.43 18.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 111.063 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 6.1 tt0 -54.06 -44.31 70.98 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.11 . . . . 0.0 110.335 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -68.87 -47.23 66.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 109.3 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.9 mt -57.0 -66.54 0.43 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.122 . . . . 0.0 109.322 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.717 HG21 ' CZ ' ' A' ' 25' ' ' PHE . 60.9 p -57.61 -69.0 0.18 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.428 1.08 . . . . 0.0 110.369 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 110.26 23.01 6.23 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.482 1.114 . . . . 0.0 111.032 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 14.5 mt -77.89 153.5 5.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.478 0.752 . . . . 0.0 109.31 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -96.64 -55.96 2.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 110.295 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.9 m -62.72 97.03 0.09 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 109.965 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -41.33 -50.33 3.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 111.004 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -45.4 -53.3 8.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.149 . . . . 0.0 109.305 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 10.2 mm100 -48.34 -40.82 26.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 110.292 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.47 ' HB3' ' CD2' ' A' ' 22' ' ' LEU . 1.3 m -66.42 -73.38 0.13 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 108.301 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.4 ' C ' ' O ' ' A' ' 37' ' ' CYS . 18.1 ttp180 -38.64 -35.38 0.19 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 110.273 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 2.3 t-80 -57.32 -64.27 0.94 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 109.62 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.834 HG22 ' HB1' ' A' ' 51' ' ' ALA . 2.3 m -50.01 -41.45 47.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 110.385 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.454 HD21 HG12 ' A' ' 48' ' ' ILE . 7.6 mt -66.54 -69.74 0.29 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.134 . . . . 0.0 109.33 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -38.93 -46.1 1.27 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.448 1.092 . . . . 0.0 110.289 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -50.85 -63.36 1.15 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.125 . . . . 0.0 110.243 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.681 ' ND1' ' HB1' ' A' ' 50' ' ' ALA . 9.5 m-70 -68.96 -9.6 52.98 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 109.6 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.565 ' CB ' ' O ' ' A' ' 44' ' ' HIS . 11.2 t-20 87.02 58.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.302 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 85.0 m95 44.53 60.89 2.65 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 108.023 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ASN . . . . . 0.453 ' O ' ' N ' ' A' ' 50' ' ' ALA . 2.4 m-20 -128.57 78.36 1.84 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.478 1.111 . . . . 0.0 109.303 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.56 ' O ' HG23 ' A' ' 52' ' ' VAL . 43.7 mt -40.43 -48.18 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 0.0 109.347 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -47.4 -44.18 24.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 110.286 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.681 ' HB1' ' ND1' ' A' ' 44' ' ' HIS . . . -85.68 -57.19 3.15 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.476 1.11 . . . . 0.0 109.322 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.834 ' HB1' HG22 ' A' ' 40' ' ' THR . . . -42.95 -43.94 4.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.557 1.161 . . . . 0.0 109.304 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.56 HG23 ' O ' ' A' ' 48' ' ' ILE . 24.9 t -56.78 -51.31 68.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 0.0 109.289 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.452 1.095 . . . . 0.0 110.258 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.4 ' O ' ' C ' ' A' ' 16' ' ' GLN . 82.5 p . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 110.413 -0.217 . . . . 0.0 110.413 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.4 ' C ' ' O ' ' A' ' 15' ' ' THR . 0.0 OUTLIER -38.97 -61.77 0.71 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 110.277 -179.952 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -45.7 -61.23 1.8 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 110.276 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.565 ' OE1' ' CE3' ' A' ' 46' ' ' TRP . 13.2 mm-40 -46.3 -63.49 0.98 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.45 1.094 . . . . 0.0 110.306 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 3.2 m -41.27 -61.72 0.98 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 110.455 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -40.19 -61.57 0.87 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 110.355 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.448 ' O ' HD11 ' A' ' 48' ' ' ILE . 7.1 mttm -40.64 -51.16 3.03 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.511 1.132 . . . . 0.0 109.292 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.452 ' CD2' ' HB3' ' A' ' 37' ' ' CYS . 1.5 mt -49.71 -59.83 3.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 0.0 109.311 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.439 HD23 ' N ' ' A' ' 23' ' ' LEU . 4.7 mt -40.15 -50.67 2.67 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 109.308 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.58 -67.86 0.22 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.13 . . . . 0.0 110.313 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.755 ' CZ ' HG21 ' A' ' 29' ' ' THR . 55.8 t80 -46.66 -58.59 3.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 111.023 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.452 ' O ' ' N ' ' A' ' 30' ' ' GLY . 1.0 OUTLIER -41.78 -57.49 2.32 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 110.35 179.969 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -55.66 -56.47 20.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 109.319 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 3.6 mt -50.67 -68.55 0.16 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.444 1.09 . . . . 0.0 109.28 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.755 HG21 ' CZ ' ' A' ' 25' ' ' PHE . 27.7 p -52.88 -70.93 0.08 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 0.0 110.411 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.452 ' N ' ' O ' ' A' ' 26' ' ' GLN . . . 113.39 9.51 17.26 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.519 1.137 . . . . 0.0 110.974 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 12.3 mt -66.94 128.02 29.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.545 0.791 . . . . 0.0 109.275 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -73.32 -38.83 65.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 110.306 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.2 m -74.55 128.97 36.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 0.0 109.978 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 1.8 tpt -71.52 -50.75 28.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 111.012 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -47.98 -45.14 31.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 109.316 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 37.2 mt-30 -58.11 -37.33 74.36 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.136 . . . . 0.0 110.244 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.452 ' HB3' ' CD2' ' A' ' 22' ' ' LEU . 11.1 m -67.75 -73.68 0.14 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.135 . . . . 0.0 108.295 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 2.8 ttm180 -44.83 -33.06 1.79 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.434 1.084 . . . . 0.0 110.303 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 2.8 t-80 -57.75 -63.83 1.11 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.628 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.852 HG22 ' HB1' ' A' ' 51' ' ' ALA . 1.4 m -52.15 -38.26 57.07 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.521 1.138 . . . . 0.0 110.422 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.522 HD21 ' CG1' ' A' ' 48' ' ' ILE . 8.9 mt -68.26 -68.1 0.42 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.118 . . . . 0.0 109.302 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -39.54 -46.96 1.83 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 110.291 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -50.87 -63.23 1.19 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.471 1.107 . . . . 0.0 110.334 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.542 ' O ' ' CB ' ' A' ' 45' ' ' ASN . 8.2 m-70 -67.63 -9.59 44.49 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.561 1.163 . . . . 0.0 109.592 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.542 ' CB ' ' O ' ' A' ' 44' ' ' HIS . 32.8 t30 86.74 57.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 109.301 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' TRP . . . . . 0.565 ' CE3' ' OE1' ' A' ' 18' ' ' GLN . 85.6 m95 45.35 57.72 4.66 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ASN . . . . . 0.438 ' O ' ' N ' ' A' ' 50' ' ' ALA . 1.2 m120 -124.16 75.19 1.35 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.543 1.152 . . . . 0.0 109.338 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.522 ' CG1' HD21 ' A' ' 41' ' ' LEU . 89.0 mt -39.54 -51.62 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.482 1.114 . . . . 0.0 109.326 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -44.7 -44.9 9.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.455 1.097 . . . . 0.0 110.292 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.54 ' HB1' ' ND1' ' A' ' 44' ' ' HIS . . . -84.49 -57.25 3.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 109.311 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.852 ' HB1' HG22 ' A' ' 40' ' ' THR . . . -41.56 -46.13 3.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.1 . . . . 0.0 109.304 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 7.6 t -56.19 -51.46 62.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 109.293 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.104 . . . . 0.0 110.275 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 73.0 p . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 110.435 -0.209 . . . . 0.0 110.435 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 11.1 mp0 -41.3 -58.1 1.93 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 110.328 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -43.06 -61.37 1.32 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 110.336 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 82.1 mt-30 -49.37 -57.58 6.65 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 110.277 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 19.9 m -41.5 -60.78 1.21 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.54 1.15 . . . . 0.0 110.39 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -42.39 -62.06 1.05 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 0.0 110.278 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.447 ' O ' HD11 ' A' ' 48' ' ' ILE . 2.5 mttp -40.46 -50.52 2.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.327 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.481 HD22 ' SD ' ' A' ' 34' ' ' MET . 1.6 mt -49.67 -58.63 4.92 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.524 1.14 . . . . 0.0 109.332 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.444 HD23 ' N ' ' A' ' 23' ' ' LEU . 5.0 mt -41.8 -51.6 4.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 109.285 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.594 ' C ' HD12 ' A' ' 28' ' ' LEU . 0.0 OUTLIER -52.32 -68.5 0.16 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 0.0 110.24 -179.96 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.68 ' CZ ' HG21 ' A' ' 29' ' ' THR . 54.4 t80 -46.14 -57.64 4.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.109 . . . . 0.0 110.949 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.451 ' O ' ' N ' ' A' ' 30' ' ' GLY . 0.8 OUTLIER -42.96 -58.85 2.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 110.306 -179.974 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -55.84 -53.46 56.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.151 . . . . 0.0 109.327 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.594 HD12 ' C ' ' A' ' 24' ' ' GLN . 2.9 mt -51.34 -68.46 0.17 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 109.299 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.68 HG21 ' CZ ' ' A' ' 25' ' ' PHE . 36.1 p -55.41 -71.16 0.09 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.139 . . . . 0.0 110.459 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.451 ' N ' ' O ' ' A' ' 26' ' ' GLN . . . 113.46 17.56 7.54 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.504 1.127 . . . . 0.0 110.999 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 13.9 mt -72.5 128.0 34.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.51 0.771 . . . . 0.0 109.339 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -67.3 -65.74 0.65 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.493 1.121 . . . . 0.0 110.337 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.2 m -56.92 100.71 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 110.052 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' MET . . . . . 0.481 ' SD ' HD22 ' A' ' 22' ' ' LEU . 0.0 OUTLIER -49.96 -36.85 29.6 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 110.982 -179.97 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -51.52 -50.3 60.25 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.501 1.126 . . . . 0.0 109.286 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 19.3 mt-30 -53.2 -45.66 68.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 110.265 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.471 ' HB3' ' CD2' ' A' ' 22' ' ' LEU . 2.0 m -53.25 -73.8 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 108.329 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -39.96 -35.96 0.42 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.49 1.119 . . . . 0.0 110.32 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 4.5 t-160 -54.41 -70.62 0.09 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.445 1.091 . . . . 0.0 109.614 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.877 HG22 ' HB1' ' A' ' 51' ' ' ALA . 1.4 m -44.95 -43.92 9.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 110.392 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.532 HD21 HG12 ' A' ' 48' ' ' ILE . 12.8 mt -62.61 -69.67 0.25 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.544 1.153 . . . . 0.0 109.298 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -38.73 -48.11 1.45 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.119 . . . . 0.0 110.321 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 5.6 mt-30 -50.97 -63.1 1.24 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 110.313 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.815 ' CE1' ' HB1' ' A' ' 50' ' ' ALA . 2.2 m-70 -67.79 -9.45 44.29 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.472 1.107 . . . . 0.0 109.628 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.527 ' CB ' ' O ' ' A' ' 44' ' ' HIS . 4.9 m-20 85.51 58.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.551 1.157 . . . . 0.0 109.319 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 84.7 m95 43.89 59.73 3.02 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ASN . . . . . 0.446 ' O ' ' N ' ' A' ' 50' ' ' ALA . 1.9 m-20 -126.56 75.63 1.56 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 109.326 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.532 HG12 HD21 ' A' ' 41' ' ' LEU . 70.6 mt -39.73 -51.42 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 109.289 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -44.51 -44.21 8.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 0.0 110.288 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.815 ' HB1' ' CE1' ' A' ' 44' ' ' HIS . . . -85.58 -56.78 3.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.338 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.877 ' HB1' HG22 ' A' ' 40' ' ' THR . . . -41.87 -44.95 3.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 109.275 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.404 HG23 HG23 ' A' ' 48' ' ' ILE . 9.5 t -57.76 -53.81 39.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.51 1.132 . . . . 0.0 109.249 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.144 . . . . 0.0 110.296 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 71.1 p . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 110.384 -0.228 . . . . 0.0 110.384 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 8.7 mt-30 -46.27 -59.74 2.74 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 110.275 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -43.81 -62.38 1.13 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.516 1.135 . . . . 0.0 110.254 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 35.7 mt-30 -50.82 -60.49 3.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 110.29 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 11.8 m -38.88 -57.53 1.22 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.49 1.119 . . . . 0.0 110.4 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -43.61 -59.2 2.29 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.476 1.11 . . . . 0.0 110.262 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.8 mttt -42.51 -48.86 5.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 109.289 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.728 HD13 ' CE ' ' A' ' 34' ' ' MET . 1.7 mt -51.58 -60.16 3.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.281 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.451 HD23 ' N ' ' A' ' 23' ' ' LEU . 4.3 mt -40.29 -49.41 2.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 109.282 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -53.69 -67.37 0.26 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.141 . . . . 0.0 110.355 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.639 ' HZ ' HG21 ' A' ' 40' ' ' THR . 57.5 t80 -49.89 -44.5 50.07 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 0.0 110.983 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -55.31 -43.85 75.25 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.465 1.103 . . . . 0.0 110.287 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -67.61 -51.79 46.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 109.303 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.2 mt -53.1 -73.24 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.5 1.125 . . . . 0.0 109.279 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.631 HG21 ' CZ ' ' A' ' 25' ' ' PHE . 61.3 p -51.62 -68.49 0.17 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.486 1.116 . . . . 0.0 110.371 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.414 ' N ' ' OG1' ' A' ' 29' ' ' THR . . . 111.46 13.06 13.62 Favored Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.522 1.139 . . . . 0.0 111.015 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 12.3 mt -68.75 125.45 26.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.548 0.793 . . . . 0.0 109.268 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -72.08 -40.44 68.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 110.334 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -73.61 105.14 4.81 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 110.02 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' MET . . . . . 0.728 ' CE ' HD13 ' A' ' 22' ' ' LEU . 0.0 OUTLIER -52.56 -49.32 65.15 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.525 1.141 . . . . 0.0 111.038 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 26.5 m-20 -46.74 -51.33 16.46 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.537 1.148 . . . . 0.0 109.274 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 15.7 mt-30 -51.03 -45.69 61.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 110.257 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.466 ' HB3' ' CD2' ' A' ' 22' ' ' LEU . 1.7 m -57.2 -73.77 0.06 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.128 . . . . 0.0 108.232 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 6.4 ttt180 -38.49 -40.5 0.57 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 110.262 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 10.5 t-160 -50.15 -67.02 0.29 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.496 1.123 . . . . 0.0 109.56 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.91 HG22 ' HB1' ' A' ' 51' ' ' ALA . 1.5 m -48.42 -47.62 37.74 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.465 1.103 . . . . 0.0 110.383 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.673 HD21 ' CG1' ' A' ' 48' ' ' ILE . 9.8 mt -58.43 -69.15 0.2 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.561 1.163 . . . . 0.0 109.332 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -38.59 -47.07 1.27 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.13 . . . . 0.0 110.319 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -50.98 -63.1 1.24 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.545 1.153 . . . . 0.0 110.275 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.7 ' CE1' ' HB1' ' A' ' 50' ' ' ALA . 4.6 m-70 -67.67 -9.67 45.47 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 0.0 109.566 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.55 ' CB ' ' O ' ' A' ' 44' ' ' HIS . 33.7 t30 87.11 56.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 0.0 109.326 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 86.2 m95 46.52 56.84 5.99 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ASN . . . . . 0.442 ' O ' ' N ' ' A' ' 50' ' ' ALA . 1.4 m120 -124.81 75.15 1.4 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 0.0 109.269 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.673 ' CG1' HD21 ' A' ' 41' ' ' LEU . 91.7 mt -40.65 -49.45 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.516 1.135 . . . . 0.0 109.308 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -45.75 -42.85 12.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.443 1.089 . . . . 0.0 110.278 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.7 ' HB1' ' CE1' ' A' ' 44' ' ' HIS . . . -87.62 -56.9 3.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.448 1.093 . . . . 0.0 109.322 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.91 ' HB1' HG22 ' A' ' 40' ' ' THR . . . -42.85 -43.36 4.01 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.499 1.124 . . . . 0.0 109.285 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.476 HG23 HG23 ' A' ' 48' ' ' ILE . 16.9 t -57.47 -53.68 41.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.275 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 4.0 mm-40 . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.147 . . . . 0.0 110.327 179.986 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 10.6 p . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 110.424 -0.213 . . . . 0.0 110.424 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -40.81 -60.97 1.04 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 110.276 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -45.41 -61.71 1.56 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.524 1.14 . . . . 0.0 110.339 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.507 ' OE1' ' CD2' ' A' ' 46' ' ' TRP . 10.6 mm100 -47.8 -64.06 0.89 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.51 1.131 . . . . 0.0 110.268 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 3.0 m -41.8 -60.53 1.34 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 110.404 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -39.83 -60.58 0.98 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 110.287 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.7 mttt -42.08 -54.36 3.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.456 1.097 . . . . 0.0 109.276 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.432 ' CD2' ' HB3' ' A' ' 37' ' ' CYS . 1.2 mt -46.09 -56.67 5.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 109.234 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.437 HD23 ' N ' ' A' ' 23' ' ' LEU . 5.5 mt -42.76 -58.76 2.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.32 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.411 ' C ' HD12 ' A' ' 28' ' ' LEU . 0.0 OUTLIER -46.67 -67.25 0.3 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 110.293 179.958 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.705 ' CZ ' HG21 ' A' ' 29' ' ' THR . 81.1 t80 -45.78 -58.52 3.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 111.002 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.424 ' O ' ' N ' ' A' ' 30' ' ' GLY . 1.0 OUTLIER -43.97 -59.52 2.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 110.311 179.964 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -50.65 -46.97 58.69 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.517 1.135 . . . . 0.0 109.263 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.411 HD12 ' C ' ' A' ' 24' ' ' GLN . 3.4 mt -58.49 -74.83 0.06 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.542 1.151 . . . . 0.0 109.299 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.705 HG21 ' CZ ' ' A' ' 25' ' ' PHE . 71.9 p -48.18 -66.09 0.46 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.477 1.11 . . . . 0.0 110.413 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.424 ' N ' ' O ' ' A' ' 26' ' ' GLN . . . 110.15 5.44 28.62 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.471 1.107 . . . . 0.0 110.975 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 10.2 mt -55.4 155.5 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.537 0.786 . . . . 0.0 109.316 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -98.74 -54.94 2.87 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.566 1.166 . . . . 0.0 110.292 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -67.38 104.64 1.57 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.496 1.123 . . . . 0.0 110.033 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' MET . . . . . 0.403 ' HE2' HD13 ' A' ' 22' ' ' LEU . 0.0 OUTLIER -47.29 -42.51 21.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 111.014 -179.967 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -47.39 -57.76 4.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.107 . . . . 0.0 109.327 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -45.99 -46.04 16.14 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.464 1.102 . . . . 0.0 110.328 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.432 ' HB3' ' CD2' ' A' ' 22' ' ' LEU . 8.4 m -58.96 -73.81 0.08 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.143 . . . . 0.0 108.319 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.419 ' HG3' ' CH2' ' A' ' 46' ' ' TRP . 10.2 ttp-105 -43.02 -33.4 0.81 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 110.33 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 13.3 t-160 -61.89 -60.43 3.64 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.499 1.124 . . . . 0.0 109.631 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.878 HG22 ' HB1' ' A' ' 51' ' ' ALA . 1.0 OUTLIER -55.28 -18.11 5.74 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 110.427 179.946 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.45 ' O ' ' N ' ' A' ' 44' ' ' HIS . 9.3 mt -90.82 -67.83 0.83 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.118 . . . . 0.0 109.316 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -39.13 -43.67 1.08 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 110.318 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' GLN . . . . . 0.511 ' CG ' ' N ' ' A' ' 44' ' ' HIS . 1.6 pt20 -55.79 -47.02 77.83 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.448 1.093 . . . . 0.0 110.266 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.819 ' ND1' ' HB1' ' A' ' 50' ' ' ALA . 71.8 m-70 -83.99 -9.2 58.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.14 . . . . 0.0 109.564 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.544 ' CB ' ' O ' ' A' ' 44' ' ' HIS . 4.2 m120 85.54 46.25 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 109.26 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' TRP . . . . . 0.507 ' CD2' ' OE1' ' A' ' 18' ' ' GLN . 87.1 m95 56.78 56.59 5.34 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.538 1.149 . . . . 0.0 107.998 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ASN . . . . . 0.449 ' O ' ' N ' ' A' ' 50' ' ' ALA . 2.3 m-20 -121.26 79.79 1.57 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.122 . . . . 0.0 109.312 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.526 HG23 ' CG2' ' A' ' 52' ' ' VAL . 32.7 mt -40.68 -47.18 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 109.301 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -49.66 -44.61 47.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.142 . . . . 0.0 110.272 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.819 ' HB1' ' ND1' ' A' ' 44' ' ' HIS . . . -82.59 -55.46 4.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.292 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.878 ' HB1' HG22 ' A' ' 40' ' ' THR . . . -45.69 -51.53 12.27 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.465 1.103 . . . . 0.0 109.309 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.526 ' CG2' HG23 ' A' ' 48' ' ' ILE . 39.4 t -51.05 -46.81 31.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 109.288 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 9.8 mm-40 . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 110.274 -179.998 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 7.1 p . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 110.416 -0.216 . . . . 0.0 110.416 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 8.2 mt-30 -41.73 -59.68 1.59 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 110.294 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -41.58 -62.24 0.92 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.451 1.094 . . . . 0.0 110.29 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 59.7 mt-30 -46.92 -60.34 2.5 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.511 1.132 . . . . 0.0 110.262 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.9 m -41.75 -55.11 3.11 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.466 1.104 . . . . 0.0 110.38 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -47.97 -60.81 2.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 110.309 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.599 ' O ' HD11 ' A' ' 48' ' ' ILE . 2.6 mttt -41.53 -46.65 3.59 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.531 1.145 . . . . 0.0 109.317 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.547 HD22 ' HE2' ' A' ' 34' ' ' MET . 1.5 mt -52.68 -59.71 4.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 109.276 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.443 HD23 ' N ' ' A' ' 23' ' ' LEU . 5.0 mt -40.68 -52.41 2.93 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 109.336 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.489 ' C ' HD12 ' A' ' 28' ' ' LEU . 4.9 mm-40 -52.61 -68.19 0.19 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 110.305 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.54 ' CZ ' HG21 ' A' ' 29' ' ' THR . 37.2 t80 -45.78 -57.48 4.25 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.47 1.106 . . . . 0.0 111.022 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.452 ' O ' ' N ' ' A' ' 30' ' ' GLY . 1.0 OUTLIER -43.45 -58.64 2.5 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.113 . . . . 0.0 110.315 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -55.06 -56.55 18.52 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 109.28 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.489 HD12 ' C ' ' A' ' 24' ' ' GLN . 3.3 mt -48.02 -71.78 0.06 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.442 1.089 . . . . 0.0 109.282 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.54 HG21 ' CZ ' ' A' ' 25' ' ' PHE . 24.1 p -53.45 -70.64 0.09 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.459 1.099 . . . . 0.0 110.404 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.452 ' N ' ' O ' ' A' ' 26' ' ' GLN . . . 115.11 18.2 6.42 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.528 1.142 . . . . 0.0 111.017 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 14.4 mt -69.91 147.23 11.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.492 0.76 . . . . 0.0 109.315 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 26.5 mm-40 -91.04 -58.34 2.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 110.252 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.75 103.78 0.47 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.49 1.119 . . . . 0.0 110.026 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' MET . . . . . 0.547 ' HE2' HD22 ' A' ' 22' ' ' LEU . 2.1 tpt -44.89 -45.53 10.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.55 1.156 . . . . 0.0 110.992 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -50.92 -55.41 17.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.446 1.091 . . . . 0.0 109.319 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 9.6 mm100 -44.96 -37.57 4.09 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.524 1.14 . . . . 0.0 110.278 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.463 ' HB3' ' CD2' ' A' ' 22' ' ' LEU . 1.1 m -69.36 -73.65 0.15 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.533 1.146 . . . . 0.0 108.294 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.503 ' HG3' ' CZ2' ' A' ' 46' ' ' TRP . 27.5 ttp180 -40.3 -30.21 0.1 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.459 1.099 . . . . 0.0 110.278 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.412 ' N ' ' C ' ' A' ' 37' ' ' CYS . 8.6 t-160 -59.9 -68.28 0.3 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.454 1.096 . . . . 0.0 109.572 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.808 HG22 ' HB1' ' A' ' 51' ' ' ALA . 1.2 m -49.78 -32.69 14.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 110.359 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.406 ' O ' ' N ' ' A' ' 45' ' ' ASN . 12.4 mt -72.84 -68.1 0.51 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 109.293 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -39.07 -48.33 1.64 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.53 1.144 . . . . 0.0 110.307 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -50.76 -63.64 1.06 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.512 1.133 . . . . 0.0 110.291 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.765 ' CE1' ' HB1' ' A' ' 50' ' ' ALA . 2.6 m-70 -67.25 -9.89 45.11 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.537 1.148 . . . . 0.0 109.576 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.526 ' CB ' ' O ' ' A' ' 44' ' ' HIS . 7.3 m-20 85.25 58.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 109.294 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' TRP . . . . . 0.503 ' CZ2' ' HG3' ' A' ' 38' ' ' ARG . 81.5 m95 43.62 62.32 1.94 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 108.016 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ASN . . . . . 0.446 ' O ' ' N ' ' A' ' 50' ' ' ALA . 1.2 m120 -127.74 76.76 1.7 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.511 1.132 . . . . 0.0 109.297 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.599 HD11 ' O ' ' A' ' 21' ' ' LYS . 57.6 mt -40.08 -49.68 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.548 1.155 . . . . 0.0 109.345 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -46.37 -44.57 17.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.125 . . . . 0.0 110.264 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.765 ' HB1' ' CE1' ' A' ' 44' ' ' HIS . . . -84.69 -57.64 3.04 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 109.284 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.808 ' HB1' HG22 ' A' ' 40' ' ' THR . . . -40.77 -43.59 2.03 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.561 1.163 . . . . 0.0 109.314 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 9.4 t -62.69 -48.97 85.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.538 1.149 . . . . 0.0 109.29 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.433 ' N ' ' O ' ' A' ' 50' ' ' ALA . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.103 . . . . 0.0 110.282 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 10.4 p . . . . . 0 N--CA 1.452 -0.34 0 N-CA-C 110.449 -0.204 . . . . 0.0 110.449 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -39.77 -61.5 0.83 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 110.277 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -44.07 -64.98 0.57 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 110.296 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 77.2 mt-30 -48.43 -61.01 2.23 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.556 1.16 . . . . 0.0 110.285 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 15.5 m -41.77 -60.87 1.23 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.144 . . . . 0.0 110.362 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -43.81 -61.32 1.46 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 0.0 110.311 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 10.3 mttp -40.5 -57.03 1.92 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.29 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.472 HD22 ' HE3' ' A' ' 34' ' ' MET . 1.5 mt -43.6 -56.86 3.46 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.465 1.103 . . . . 0.0 109.306 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.433 HD23 ' N ' ' A' ' 23' ' ' LEU . 5.7 mt -42.54 -61.46 1.22 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 109.291 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.435 ' C ' HD12 ' A' ' 28' ' ' LEU . 0.0 OUTLIER -46.1 -62.73 1.21 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 110.266 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.552 ' CZ ' HG21 ' A' ' 29' ' ' THR . 77.6 t80 -51.98 -43.98 63.82 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.491 1.119 . . . . 0.0 111.013 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 7.7 tt0 -59.38 -40.52 86.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.148 . . . . 0.0 110.281 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -71.17 -41.56 70.23 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.555 1.159 . . . . 0.0 109.315 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.435 HD12 ' C ' ' A' ' 24' ' ' GLN . 2.7 mt -62.36 -64.46 0.92 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 109.272 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.552 HG21 ' CZ ' ' A' ' 25' ' ' PHE . 41.5 p -58.37 -73.77 0.07 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.443 1.089 . . . . 0.0 110.379 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 116.46 14.37 7.6 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.499 1.124 . . . . 0.0 111.035 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 11.0 mt -67.31 157.03 6.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.491 0.759 . . . . 0.0 109.275 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -100.27 -48.77 4.48 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 0.0 110.289 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 18.3 m -72.27 103.56 3.42 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 110.009 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' MET . . . . . 0.472 ' HE3' HD22 ' A' ' 22' ' ' LEU . 0.1 OUTLIER -46.77 -45.39 19.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 110.987 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -45.47 -59.36 2.75 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.464 1.102 . . . . 0.0 109.338 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 13.1 mm100 -43.44 -43.14 5.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 110.25 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.461 ' HB3' ' CD2' ' A' ' 22' ' ' LEU . 3.0 m -66.72 -73.8 0.13 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.562 1.164 . . . . 0.0 108.321 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -40.12 -32.55 0.18 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.142 . . . . 0.0 110.283 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 10.4 t-160 -64.72 -60.1 3.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.574 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.855 HG22 ' HB1' ' A' ' 51' ' ' ALA . 1.0 OUTLIER -56.22 -17.92 8.83 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.458 1.099 . . . . 0.0 110.396 -179.973 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.456 ' O ' ' N ' ' A' ' 44' ' ' HIS . 8.5 mt -91.23 -66.15 0.95 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.273 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -41.97 -42.48 2.83 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 110.288 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' GLN . . . . . 0.415 ' HG3' ' N ' ' A' ' 44' ' ' HIS . 1.9 pt20 -57.13 -41.57 79.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 110.292 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.8 ' ND1' ' HB1' ' A' ' 50' ' ' ALA . 62.3 m-70 -88.07 -9.5 53.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.655 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.577 ' CB ' ' O ' ' A' ' 44' ' ' HIS . 21.9 t30 88.18 36.99 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.494 1.121 . . . . 0.0 109.324 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 85.7 m95 65.08 52.51 1.5 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 108.024 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ASN . . . . . 0.447 ' O ' ' N ' ' A' ' 50' ' ' ALA . 0.8 OUTLIER -116.8 81.12 1.58 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.281 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.573 ' O ' HG23 ' A' ' 52' ' ' VAL . 35.7 mt -41.66 -46.03 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.438 1.086 . . . . 0.0 109.316 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -50.12 -43.17 51.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 110.328 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.8 ' HB1' ' ND1' ' A' ' 44' ' ' HIS . . . -84.57 -54.94 4.4 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 109.262 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.855 ' HB1' HG22 ' A' ' 40' ' ' THR . . . -46.4 -50.04 17.18 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 109.341 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.573 HG23 ' O ' ' A' ' 48' ' ' ILE . 41.0 t -51.41 -38.69 20.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 109.302 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.6 tp-100 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 110.278 -179.994 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 15.3 p . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 110.394 -0.225 . . . . 0.0 110.394 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 18.3 mt-30 -44.5 -53.25 7.17 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 0.0 110.339 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -47.98 -60.97 2.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 110.309 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 29.1 mt-30 -49.09 -57.67 6.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 110.296 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 19.2 m -40.93 -60.5 1.17 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 110.395 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -45.88 -59.27 2.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.104 . . . . 0.0 110.323 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.628 ' O ' HD11 ' A' ' 48' ' ' ILE . 1.0 OUTLIER -42.11 -46.12 4.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.546 1.154 . . . . 0.0 109.326 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.503 ' HA ' HD23 ' A' ' 22' ' ' LEU . 0.9 OUTLIER -53.56 -59.9 4.0 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.477 1.111 . . . . 0.0 109.32 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.448 HD23 ' N ' ' A' ' 23' ' ' LEU . 4.8 mt -40.83 -49.1 3.16 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.128 . . . . 0.0 109.308 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.5 ' OE1' HD11 ' A' ' 28' ' ' LEU . 0.0 OUTLIER -54.69 -67.75 0.24 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 110.262 -179.973 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.626 ' CZ ' HG21 ' A' ' 29' ' ' THR . 26.8 t80 -45.95 -57.65 4.22 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.142 . . . . 0.0 110.965 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -46.89 -59.39 3.11 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 110.296 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -52.54 -47.26 66.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.57 1.169 . . . . 0.0 109.349 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.5 HD11 ' OE1' ' A' ' 24' ' ' GLN . 4.8 mt -61.69 -78.07 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.564 1.165 . . . . 0.0 109.311 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.626 HG21 ' CZ ' ' A' ' 25' ' ' PHE . 81.9 p -43.09 -61.45 1.31 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 110.383 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 105.4 7.51 37.16 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.472 1.108 . . . . 0.0 110.994 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.446 HG22 ' O ' ' A' ' 33' ' ' SER . 22.0 mt -58.02 129.94 20.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.535 0.785 . . . . 0.0 109.292 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.414 ' HG3' ' N ' ' A' ' 33' ' ' SER . 8.1 pt-20 -77.81 -31.05 51.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 110.304 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.446 ' O ' HG22 ' A' ' 31' ' ' ILE . 0.4 OUTLIER -85.58 115.17 23.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.557 1.161 . . . . 0.0 110.003 -179.976 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 34' ' ' MET . . . . . 0.481 ' HE2' HD13 ' A' ' 22' ' ' LEU . 2.4 tpt -58.25 -53.56 56.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 110.995 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -46.78 -50.77 17.72 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 109.297 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 10.3 mm100 -49.97 -44.53 50.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.132 . . . . 0.0 110.287 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.477 ' HB3' ' CD2' ' A' ' 22' ' ' LEU . 1.2 m -58.64 -73.64 0.08 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.104 . . . . 0.0 108.26 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.408 ' HG3' ' CH2' ' A' ' 46' ' ' TRP . 32.4 ttp180 -40.91 -38.41 0.95 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 110.332 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 9.8 t-160 -50.78 -71.08 0.07 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 109.579 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.975 HG22 ' HB1' ' A' ' 51' ' ' ALA . 1.2 m -44.75 -44.63 9.41 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.536 1.147 . . . . 0.0 110.38 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.544 HD21 ' CG1' ' A' ' 48' ' ' ILE . 15.0 mt -61.01 -69.97 0.21 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.45 1.094 . . . . 0.0 109.275 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -38.23 -46.46 1.08 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.512 1.133 . . . . 0.0 110.296 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 2.7 mm-40 -51.37 -61.46 2.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 110.354 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.787 ' CE1' ' HB1' ' A' ' 50' ' ' ALA . 2.3 m-70 -70.69 -9.18 56.56 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.538 1.149 . . . . 0.0 109.624 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.547 ' CB ' ' O ' ' A' ' 44' ' ' HIS . 1.6 m-20 85.67 58.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.122 . . . . 0.0 109.302 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' TRP . . . . . 0.408 ' CH2' ' HG3' ' A' ' 38' ' ' ARG . 85.1 m95 45.32 61.83 2.41 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 0.0 108.043 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ASN . . . . . 0.448 ' O ' ' N ' ' A' ' 50' ' ' ALA . 3.5 m-20 -129.99 75.31 1.64 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.543 1.152 . . . . 0.0 109.279 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.628 HD11 ' O ' ' A' ' 21' ' ' LYS . 76.4 mt -40.74 -49.03 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 0.0 109.281 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.406 ' O ' ' CD ' ' A' ' 53' ' ' GLN . 1.1 mm-40 -46.22 -42.56 14.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 110.322 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.787 ' HB1' ' CE1' ' A' ' 44' ' ' HIS . . . -87.62 -56.56 3.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.279 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.975 ' HB1' HG22 ' A' ' 40' ' ' THR . . . -43.27 -42.46 4.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.112 . . . . 0.0 109.267 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.475 HG23 HG23 ' A' ' 48' ' ' ILE . 22.7 t -60.39 -44.77 96.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 109.28 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.447 ' N ' ' O ' ' A' ' 50' ' ' ALA . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 110.319 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 7.1 p . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 110.412 -0.218 . . . . 0.0 110.412 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -38.96 -61.5 0.73 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 110.319 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -44.4 -58.33 3.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 110.284 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 14.5 mm100 -50.3 -63.47 1.11 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 110.329 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.9 m -42.13 -44.27 3.6 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.478 1.111 . . . . 0.0 110.409 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.411 ' HG2' ' N ' ' A' ' 21' ' ' LYS . 0.0 OUTLIER -56.44 -46.66 80.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 110.284 -179.968 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.728 ' O ' HD11 ' A' ' 48' ' ' ILE . 8.6 mttp -56.03 -36.54 68.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.249 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.848 HD22 ' HE2' ' A' ' 34' ' ' MET . 2.5 mt -62.98 -57.03 12.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.322 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.433 HD23 ' N ' ' A' ' 23' ' ' LEU . 4.9 mt -41.52 -50.3 3.98 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 0.0 109.314 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.521 ' C ' HD12 ' A' ' 28' ' ' LEU . 0.9 OUTLIER -52.7 -68.03 0.2 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.502 1.126 . . . . 0.0 110.29 -179.959 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.83 ' CZ ' HG21 ' A' ' 29' ' ' THR . 59.8 t80 -48.01 -58.6 4.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 110.97 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.435 ' O ' ' N ' ' A' ' 30' ' ' GLY . 1.1 tt0 -40.87 -57.77 1.87 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 110.265 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -56.15 -56.24 23.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.316 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.521 HD12 ' C ' ' A' ' 24' ' ' GLN . 2.8 mt -50.71 -68.54 0.16 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.276 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.83 HG21 ' CZ ' ' A' ' 25' ' ' PHE . 27.2 p -52.7 -71.27 0.07 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 110.348 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.435 ' N ' ' O ' ' A' ' 26' ' ' GLN . . . 114.86 12.75 9.89 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.508 1.13 . . . . 0.0 111.031 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 18.5 mt -70.06 148.54 11.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.482 0.754 . . . . 0.0 109.304 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -92.34 -58.1 2.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 110.297 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.97 106.78 0.75 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 109.99 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' MET . . . . . 0.848 ' HE2' HD22 ' A' ' 22' ' ' LEU . 2.4 tpt -49.29 -41.62 38.7 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.46 1.1 . . . . 0.0 110.974 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -51.08 -49.52 60.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 109.297 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 13.8 mt-30 -53.12 -41.05 64.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.12 . . . . 0.0 110.282 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.47 ' HB3' ' CD2' ' A' ' 22' ' ' LEU . 3.3 m -65.65 -73.86 0.12 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 108.261 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 21.5 ttt180 -39.41 -33.93 0.18 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 0.0 110.291 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -60.2 -64.77 0.83 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.603 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.723 HG22 ' HB1' ' A' ' 51' ' ' ALA . 2.5 m -49.96 -36.01 26.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 110.421 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 8.4 mt -72.11 -69.79 0.37 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 109.326 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.42 ' HG2' ' NE1' ' A' ' 46' ' ' TRP . 3.1 mm-40 -38.9 -43.32 0.94 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 110.29 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.21 -61.06 2.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.1 . . . . 0.0 110.311 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.722 ' ND1' ' HB1' ' A' ' 50' ' ' ALA . 5.1 m-70 -70.81 -9.61 57.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.096 . . . . 0.0 109.594 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.551 ' CB ' ' O ' ' A' ' 44' ' ' HIS . 10.3 t-20 87.26 57.17 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.536 1.148 . . . . 0.0 109.307 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' TRP . . . . . 0.42 ' NE1' ' HG2' ' A' ' 42' ' ' GLU . 85.5 m95 45.71 60.46 3.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.106 . . . . 0.0 108.018 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ASN . . . . . 0.443 ' O ' ' N ' ' A' ' 50' ' ' ALA . 1.3 m-20 -127.48 76.64 1.68 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.131 . . . . 0.0 109.29 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.728 HD11 ' O ' ' A' ' 21' ' ' LYS . 58.1 mt -39.03 -51.07 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.472 1.108 . . . . 0.0 109.322 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -45.83 -46.49 15.6 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 110.286 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.722 ' HB1' ' ND1' ' A' ' 44' ' ' HIS . . . -82.0 -56.69 3.8 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 109.271 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.723 ' HB1' HG22 ' A' ' 40' ' ' THR . . . -42.08 -49.41 4.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 109.292 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 13.6 t -51.05 -44.93 29.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.302 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.433 ' N ' ' O ' ' A' ' 50' ' ' ALA . 0.9 OUTLIER . . . . . 0 C--N 1.324 -0.519 0 O-C-N 124.537 1.148 . . . . 0.0 110.27 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.435 ' OG1' ' N ' ' A' ' 16' ' ' GLN . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 110.386 -0.227 . . . . 0.0 110.386 . . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.435 ' N ' ' OG1' ' A' ' 15' ' ' THR . 1.6 tm0? -54.79 -18.99 5.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.454 1.096 . . . . 0.0 110.323 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -79.67 -61.74 1.9 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.514 1.134 . . . . 0.0 110.32 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 14.3 mm100 -45.45 -54.76 6.94 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.533 1.146 . . . . 0.0 110.3 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 17.6 m -44.28 -55.11 5.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 110.389 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -44.48 -59.85 2.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.442 1.089 . . . . 0.0 110.294 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.621 ' O ' HD11 ' A' ' 48' ' ' ILE . 0.3 OUTLIER -44.18 -44.7 7.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.427 1.08 . . . . 0.0 109.317 179.975 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.461 ' CD2' ' HB3' ' A' ' 37' ' ' CYS . 0.8 OUTLIER -55.43 -59.0 5.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.434 1.084 . . . . 0.0 109.278 -179.976 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.438 HD23 ' N ' ' A' ' 23' ' ' LEU . 5.3 mt -40.36 -50.04 2.81 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.432 1.083 . . . . 0.0 109.333 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.86 -67.49 0.25 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 110.233 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.631 ' HZ ' HG21 ' A' ' 40' ' ' THR . 38.1 t80 -47.66 -52.11 19.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.455 1.097 . . . . 0.0 110.999 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -54.03 -41.3 67.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 110.279 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -71.78 -36.37 70.33 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.461 1.101 . . . . 0.0 109.299 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 3.8 mt -69.68 -63.78 1.01 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.509 1.131 . . . . 0.0 109.317 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.554 HG21 ' CZ ' ' A' ' 25' ' ' PHE . 28.3 p -62.98 -72.16 0.14 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 110.372 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 114.54 16.35 7.64 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.512 1.133 . . . . 0.0 110.974 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.554 HG21 ' HB3' ' A' ' 36' ' ' GLN . 18.0 mt -68.9 127.42 30.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.529 0.782 . . . . 0.0 109.306 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.86 -52.17 27.13 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.465 1.103 . . . . 0.0 110.304 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -63.56 113.12 3.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.098 . . . . 0.0 110.002 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.53 -49.24 78.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 111.002 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -50.23 -42.21 51.35 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.128 . . . . 0.0 109.273 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.554 ' HB3' HG21 ' A' ' 31' ' ' ILE . 10.4 mt-30 -59.55 -31.09 69.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.107 . . . . 0.0 110.284 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.461 ' HB3' ' CD2' ' A' ' 22' ' ' LEU . 1.6 m -75.62 -74.02 0.23 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 108.296 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.475 ' HG3' ' CZ2' ' A' ' 46' ' ' TRP . 35.3 ttp180 -40.04 -30.21 0.09 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 110.295 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.414 ' N ' ' C ' ' A' ' 37' ' ' CYS . 4.4 t-80 -61.53 -69.73 0.23 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 109.614 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.994 HG22 ' HB1' ' A' ' 51' ' ' ALA . 1.2 m -46.3 -31.94 2.84 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 110.37 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.498 HD21 HG12 ' A' ' 48' ' ' ILE . 19.7 mt -76.34 -70.53 0.44 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 109.326 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.411 ' HG2' ' NE1' ' A' ' 46' ' ' TRP . 2.4 mm-40 -38.9 -43.44 0.95 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 110.311 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -49.69 -65.87 0.49 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.505 1.128 . . . . 0.0 110.255 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.616 ' CE1' ' HB1' ' A' ' 50' ' ' ALA . 2.2 m-70 -69.16 -9.43 52.84 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 109.639 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.589 ' CB ' ' O ' ' A' ' 44' ' ' HIS . 23.9 t30 88.76 59.89 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 109.292 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' TRP . . . . . 0.475 ' CZ2' ' HG3' ' A' ' 38' ' ' ARG . 82.8 m95 44.87 62.81 1.94 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 107.979 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ASN . . . . . 0.464 ' O ' ' N ' ' A' ' 50' ' ' ALA . 0.8 OUTLIER -129.8 76.92 1.76 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 109.302 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.621 HD11 ' O ' ' A' ' 21' ' ' LYS . 49.1 mt -39.71 -51.44 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 109.306 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -45.96 -43.46 14.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 110.278 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.616 ' HB1' ' CE1' ' A' ' 44' ' ' HIS . . . -84.05 -58.1 2.91 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.526 1.141 . . . . 0.0 109.276 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.994 ' HB1' HG22 ' A' ' 40' ' ' THR . . . -41.77 -46.4 3.85 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.31 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 14.0 t -59.86 -45.72 94.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.455 1.097 . . . . 0.0 109.279 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.444 ' N ' ' O ' ' A' ' 50' ' ' ALA . 2.9 mm-40 . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 110.327 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 12.7 p . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 110.373 -0.232 . . . . 0.0 110.373 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 22.5 mp0 -38.41 -57.48 1.13 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.544 1.152 . . . . 0.0 110.312 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -45.64 -59.95 2.47 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.537 1.148 . . . . 0.0 110.332 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 24.7 mt-30 -58.54 -59.73 4.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 110.309 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 18.0 m -42.08 -60.64 1.36 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.143 . . . . 0.0 110.398 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -48.64 -60.43 2.72 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.556 1.16 . . . . 0.0 110.3 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.577 ' O ' HD11 ' A' ' 48' ' ' ILE . 1.4 mttm -40.23 -48.94 2.67 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.53 1.144 . . . . 0.0 109.321 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.471 ' CD2' ' HB3' ' A' ' 37' ' ' CYS . 2.5 mt -50.84 -60.24 3.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 109.339 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.438 HD23 ' N ' ' A' ' 23' ' ' LEU . 4.7 mt -40.46 -51.33 2.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.322 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.506 ' OE1' HD11 ' A' ' 28' ' ' LEU . 5.3 mm-40 -52.94 -67.97 0.21 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.494 1.121 . . . . 0.0 110.303 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.639 ' CZ ' HG21 ' A' ' 29' ' ' THR . 60.8 t80 -49.5 -51.9 33.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 111.017 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 4.9 tt0 -52.2 -38.65 58.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 110.319 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -72.91 -49.63 28.51 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 109.264 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.506 HD11 ' OE1' ' A' ' 24' ' ' GLN . 2.8 mt -57.2 -64.26 0.94 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.514 1.134 . . . . 0.0 109.327 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.639 HG21 ' CZ ' ' A' ' 25' ' ' PHE . 67.4 p -59.71 -69.27 0.22 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.449 1.093 . . . . 0.0 110.403 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 108.99 24.96 5.81 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.496 1.122 . . . . 0.0 110.985 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 20.7 mt -75.83 134.69 28.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.505 0.767 . . . . 0.0 109.271 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -74.19 -60.86 2.07 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 110.255 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 19.9 m -64.58 111.65 2.81 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.553 1.158 . . . . 0.0 110.01 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' MET . . . . . 0.467 ' HE2' HD13 ' A' ' 22' ' ' LEU . 0.1 OUTLIER -55.64 -38.76 69.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.143 . . . . 0.0 110.973 -179.963 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -50.43 -49.26 55.35 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.142 . . . . 0.0 109.283 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 14.6 mt-30 -53.54 -42.83 67.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 110.346 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.471 ' HB3' ' CD2' ' A' ' 22' ' ' LEU . 1.8 m -61.42 -73.44 0.1 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.454 1.096 . . . . 0.0 108.312 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 6.7 ttp180 -38.73 -33.48 0.11 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.132 . . . . 0.0 110.271 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 9.2 t-160 -59.29 -70.12 0.17 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.595 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' THR . . . . . 1.01 HG22 ' HB1' ' A' ' 51' ' ' ALA . 1.4 m -46.21 -36.15 5.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 110.423 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.497 HD21 HG12 ' A' ' 48' ' ' ILE . 12.5 mt -71.12 -70.21 0.32 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.467 1.104 . . . . 0.0 109.25 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -38.36 -47.42 1.23 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.541 1.15 . . . . 0.0 110.317 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -50.41 -64.08 0.92 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.479 1.112 . . . . 0.0 110.336 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.733 ' ND1' ' HB1' ' A' ' 50' ' ' ALA . 4.4 m-70 -68.81 -9.59 52.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.133 . . . . 0.0 109.604 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.543 ' CB ' ' O ' ' A' ' 44' ' ' HIS . 4.4 m120 85.34 60.69 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 0.0 109.286 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 81.3 m95 42.91 62.19 1.87 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 107.995 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ASN . . . . . 0.44 ' O ' ' N ' ' A' ' 50' ' ' ALA . 2.6 m-20 -128.61 75.74 1.66 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 109.276 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.577 HD11 ' O ' ' A' ' 21' ' ' LYS . 11.2 mt -39.87 -48.81 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.454 1.096 . . . . 0.0 109.274 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -47.37 -45.76 25.29 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.547 1.154 . . . . 0.0 110.308 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.733 ' HB1' ' ND1' ' A' ' 44' ' ' HIS . . . -83.39 -57.08 3.4 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.442 1.088 . . . . 0.0 109.285 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 1.01 ' HB1' HG22 ' A' ' 40' ' ' THR . . . -42.27 -46.14 4.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.45 1.094 . . . . 0.0 109.294 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.496 HG23 ' O ' ' A' ' 48' ' ' ILE . 22.4 t -55.5 -45.54 78.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.538 1.149 . . . . 0.0 109.337 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.445 ' N ' ' O ' ' A' ' 50' ' ' ALA . 70.4 mm-40 . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 110.308 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 43.6 p . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 110.373 -0.232 . . . . 0.0 110.373 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -43.72 -56.77 3.58 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.533 1.146 . . . . 0.0 110.318 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -42.03 -64.54 0.57 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.535 1.147 . . . . 0.0 110.296 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 86.7 mt-30 -50.83 -59.17 4.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 110.328 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.401 ' O ' ' C ' ' A' ' 20' ' ' GLU . 5.2 m -41.87 -65.51 0.44 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 110.392 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.401 ' C ' ' O ' ' A' ' 19' ' ' THR . 2.9 tt0 -39.0 -61.99 0.68 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.443 1.09 . . . . 0.0 110.3 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 7.1 mttt -41.68 -60.03 1.47 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.439 1.087 . . . . 0.0 109.318 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.466 ' CD2' ' HB3' ' A' ' 37' ' ' CYS . 1.1 mt -41.57 -54.15 3.28 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.488 1.118 . . . . 0.0 109.304 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.432 HD23 ' N ' ' A' ' 23' ' ' LEU . 5.8 mt -44.47 -63.42 0.9 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 0.0 109.291 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.453 ' C ' HD12 ' A' ' 28' ' ' LEU . 0.0 OUTLIER -45.56 -63.88 0.85 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 110.249 -179.972 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.732 ' CZ ' HG21 ' A' ' 29' ' ' THR . 80.6 t80 -45.04 -59.75 2.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 111.02 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.442 ' O ' ' N ' ' A' ' 30' ' ' GLY . 1.0 OUTLIER -42.94 -59.15 2.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 0.0 110.298 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -51.9 -42.04 62.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 109.332 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.453 HD12 ' C ' ' A' ' 24' ' ' GLN . 3.3 mt -63.94 -62.95 1.31 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 109.341 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.732 HG21 ' CZ ' ' A' ' 25' ' ' PHE . 74.6 p -62.71 -76.32 0.06 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.537 1.148 . . . . 0.0 110.395 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.442 ' N ' ' O ' ' A' ' 26' ' ' GLN . . . 116.59 14.01 7.72 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.463 1.102 . . . . 0.0 111.038 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.46 HG21 ' HB3' ' A' ' 36' ' ' GLN . 16.1 mt -67.8 135.81 27.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.428 0.723 . . . . 0.0 109.295 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -76.01 -61.0 2.08 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.543 1.152 . . . . 0.0 110.264 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -60.97 103.32 0.26 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.553 1.158 . . . . 0.0 110.055 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -47.19 -49.31 23.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 111.027 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -42.87 -55.97 3.46 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.46 1.1 . . . . 0.0 109.279 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.46 ' HB3' HG21 ' A' ' 31' ' ' ILE . 6.6 mt-30 -45.38 -42.82 10.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 110.331 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.466 ' HB3' ' CD2' ' A' ' 22' ' ' LEU . 1.3 m -65.71 -73.79 0.12 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.145 . . . . 0.0 108.264 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.422 ' HG3' ' CZ2' ' A' ' 46' ' ' TRP . 22.1 ttt180 -40.77 -29.97 0.11 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.135 . . . . 0.0 110.284 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.412 ' N ' ' C ' ' A' ' 37' ' ' CYS . 2.7 t-80 -65.93 -55.38 17.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 109.616 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.867 HG22 ' HB1' ' A' ' 51' ' ' ALA . 1.0 OUTLIER -60.75 -18.21 53.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 110.413 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.453 ' O ' ' N ' ' A' ' 44' ' ' HIS . 9.3 mt -91.27 -65.01 1.05 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.101 . . . . 0.0 109.297 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -42.26 -42.54 3.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 110.29 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' GLN . . . . . 0.514 ' NE2' ' HA ' ' A' ' 40' ' ' THR . 2.9 pt20 -57.53 -41.26 80.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 110.265 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.796 ' ND1' ' HB1' ' A' ' 50' ' ' ALA . 54.6 m-70 -87.87 -9.45 53.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 109.614 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.575 ' CB ' ' O ' ' A' ' 44' ' ' HIS . 20.2 t30 88.04 36.38 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 109.295 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' TRP . . . . . 0.422 ' CZ2' ' HG3' ' A' ' 38' ' ' ARG . 88.4 m95 65.84 52.19 1.3 Allowed 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ASN . . . . . 0.448 ' O ' ' N ' ' A' ' 50' ' ' ALA . 1.2 m-20 -116.7 81.98 1.72 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.565 1.166 . . . . 0.0 109.265 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.59 HG23 HG23 ' A' ' 52' ' ' VAL . 43.4 mt -43.18 -46.93 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.112 . . . . 0.0 109.316 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -49.01 -38.71 24.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.546 1.154 . . . . 0.0 110.326 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.796 ' HB1' ' ND1' ' A' ' 44' ' ' HIS . . . -89.46 -56.07 3.4 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 109.279 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.867 ' HB1' HG22 ' A' ' 40' ' ' THR . . . -45.55 -45.84 13.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 109.29 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.59 HG23 HG23 ' A' ' 48' ' ' ILE . 37.6 t -54.54 -37.89 40.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.546 1.154 . . . . 0.0 109.326 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.446 ' N ' ' O ' ' A' ' 50' ' ' ALA . 2.1 tp-100 . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 110.311 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 65.8 p . . . . . 0 N--CA 1.454 -0.271 0 N-CA-C 110.382 -0.229 . . . . 0.0 110.382 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 30.2 mt-30 -39.14 -59.47 1.01 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.546 1.154 . . . . 0.0 110.281 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -43.32 -61.77 1.25 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 110.297 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 75.6 mt-30 -49.45 -59.78 3.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.55 1.156 . . . . 0.0 110.295 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 19.4 m -41.05 -64.93 0.48 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.477 1.111 . . . . 0.0 110.429 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -39.56 -58.42 1.29 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 110.279 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 15.2 mttp -43.39 -59.68 2.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 0.0 109.293 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.468 ' CD2' ' HB3' ' A' ' 37' ' ' CYS . 1.3 mt -41.68 -54.3 3.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 109.3 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.436 HD23 ' N ' ' A' ' 23' ' ' LEU . 5.7 mt -44.55 -63.38 0.91 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 109.265 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -45.03 -67.54 0.28 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.501 1.125 . . . . 0.0 110.301 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.551 ' CZ ' HG21 ' A' ' 29' ' ' THR . 88.5 t80 -46.69 -45.17 19.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 110.967 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 -59.46 -45.73 90.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.456 1.098 . . . . 0.0 110.298 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -63.21 -41.64 99.18 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.556 1.16 . . . . 0.0 109.283 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.3 mt -66.0 -58.18 6.1 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 0.0 109.306 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.551 HG21 ' CZ ' ' A' ' 25' ' ' PHE . 41.3 p -63.41 -73.12 0.12 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 110.442 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 110.67 21.41 6.82 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.48 1.112 . . . . 0.0 111.022 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 35.1 mt -74.8 128.68 36.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.484 0.755 . . . . 0.0 109.301 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -71.95 -39.15 69.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 110.31 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 5.5 m -80.01 107.41 12.77 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.461 1.101 . . . . 0.0 110.009 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.56 -52.8 60.95 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.143 . . . . 0.0 111.025 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -44.22 -52.06 7.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 0.0 109.351 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 8.1 mm100 -48.28 -42.44 30.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 110.309 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.468 ' HB3' ' CD2' ' A' ' 22' ' ' LEU . 1.2 m -66.68 -73.12 0.14 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.484 1.115 . . . . 0.0 108.332 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.453 ' HB2' HD11 ' A' ' 22' ' ' LEU . 5.5 ttm180 -38.63 -33.48 0.11 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.436 1.085 . . . . 0.0 110.313 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -63.51 -54.66 32.87 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.538 1.149 . . . . 0.0 109.597 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.706 HG22 ' HB1' ' A' ' 51' ' ' ALA . 1.0 OUTLIER -61.26 -16.67 47.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 110.412 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.452 ' O ' ' N ' ' A' ' 44' ' ' HIS . 8.8 mt -91.61 -62.34 1.45 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 109.319 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.421 ' HG2' ' NE1' ' A' ' 46' ' ' TRP . 0.4 OUTLIER -45.78 -41.53 10.97 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 110.287 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 43' ' ' GLN . . . . . 0.485 ' HG3' ' CD2' ' A' ' 44' ' ' HIS . 11.8 pt20 -57.97 -32.86 68.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 110.274 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.793 ' ND1' ' HB1' ' A' ' 50' ' ' ALA . 61.0 m-70 -97.58 -9.53 26.8 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 109.609 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.56 ' CB ' ' O ' ' A' ' 44' ' ' HIS . 16.5 t30 88.15 35.38 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.278 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' TRP . . . . . 0.421 ' NE1' ' HG2' ' A' ' 42' ' ' GLU . 88.6 m95 66.17 52.11 1.19 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.527 1.142 . . . . 0.0 107.993 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' ASN . . . . . 0.454 ' O ' ' N ' ' A' ' 50' ' ' ALA . 1.3 m-20 -115.96 81.63 1.63 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 0.0 109.272 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.551 HG23 HG23 ' A' ' 52' ' ' VAL . 43.9 mt -41.71 -46.89 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 0.0 109.335 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -48.94 -42.43 37.33 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 110.299 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.793 ' HB1' ' ND1' ' A' ' 44' ' ' HIS . . . -85.69 -55.01 4.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.47 1.106 . . . . 0.0 109.279 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.706 ' HB1' HG22 ' A' ' 40' ' ' THR . . . -45.78 -48.5 15.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 109.283 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.551 HG23 HG23 ' A' ' 48' ' ' ILE . 41.9 t -56.66 -45.87 82.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.291 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 14.8 mm-40 . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 110.319 179.994 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 62.6 p . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 110.426 -0.212 . . . . 0.0 110.426 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -44.3 -60.64 1.83 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.532 1.145 . . . . 0.0 110.286 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -40.83 -64.39 0.54 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 110.309 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 61.7 mt-30 -51.25 -59.13 4.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 110.294 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 5.2 m -42.56 -60.94 1.35 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 110.432 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -39.03 -55.39 1.58 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.123 . . . . 0.0 110.282 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 4.9 mttp -47.25 -54.55 10.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 0.0 109.338 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.968 HD22 ' SD ' ' A' ' 34' ' ' MET . 0.6 OUTLIER -46.49 -56.2 6.34 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.477 1.11 . . . . 0.0 109.333 179.965 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.438 HD23 ' N ' ' A' ' 23' ' ' LEU . 5.4 mt -41.78 -60.51 1.35 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 109.296 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.52 ' O ' HD12 ' A' ' 28' ' ' LEU . 0.1 OUTLIER -45.95 -63.23 1.03 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.131 . . . . 0.0 110.29 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.63 ' CZ ' HG21 ' A' ' 29' ' ' THR . 64.0 t80 -44.86 -58.07 3.35 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 110.995 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.4 ' O ' ' C ' ' A' ' 27' ' ' ASP . 37.0 tt0 -44.91 -69.55 0.13 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 110.316 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.4 ' C ' ' O ' ' A' ' 26' ' ' GLN . 6.6 t0 -40.27 -48.31 2.6 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.1 . . . . 0.0 109.287 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.52 HD12 ' O ' ' A' ' 24' ' ' GLN . 3.1 mt -58.67 -80.61 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 109.33 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.63 HG21 ' CZ ' ' A' ' 25' ' ' PHE . 70.2 p -38.83 -56.7 1.33 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.531 1.145 . . . . 0.0 110.375 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 103.52 17.51 17.13 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.491 1.119 . . . . 0.0 111.017 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 15.9 mt -72.57 151.81 7.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.476 0.751 . . . . 0.0 109.323 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -100.42 -33.95 10.15 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.556 1.16 . . . . 0.0 110.324 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -91.44 92.3 8.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 110.006 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' MET . . . . . 0.968 ' SD ' HD22 ' A' ' 22' ' ' LEU . 43.4 tpp -56.0 -16.9 5.51 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.455 1.097 . . . . 0.0 110.959 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -66.73 -32.03 73.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 109.326 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -83.75 -27.64 28.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 110.293 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.485 ' HB3' HD21 ' A' ' 22' ' ' LEU . 1.1 m -65.54 -64.49 0.85 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 108.321 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.409 ' HB2' HD11 ' A' ' 22' ' ' LEU . 10.9 ttt180 -42.39 -31.9 0.47 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.538 1.148 . . . . 0.0 110.305 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -66.28 -53.64 34.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.547 1.154 . . . . 0.0 109.584 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.541 HG22 ' HB1' ' A' ' 51' ' ' ALA . 1.7 m -59.49 -25.99 64.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.546 1.154 . . . . 0.0 110.424 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 7.9 mt -84.45 -67.35 0.8 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.475 1.109 . . . . 0.0 109.309 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.421 ' HG2' ' NE1' ' A' ' 46' ' ' TRP . 1.6 mm-40 -39.38 -45.6 1.49 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 110.313 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -52.56 -58.99 5.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.105 . . . . 0.0 110.296 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.706 ' ND1' ' HB1' ' A' ' 50' ' ' ALA . 12.0 m-70 -71.8 -9.57 58.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.093 . . . . 0.0 109.657 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.544 ' CB ' ' O ' ' A' ' 44' ' ' HIS . 19.8 t30 87.04 56.64 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.473 1.108 . . . . 0.0 109.335 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' TRP . . . . . 0.421 ' NE1' ' HG2' ' A' ' 42' ' ' GLU . 82.3 m95 44.13 60.75 2.63 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.112 . . . . 0.0 108.01 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' ASN . . . . . 0.455 ' O ' ' N ' ' A' ' 50' ' ' ALA . 3.4 m-20 -125.92 80.72 1.93 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 109.273 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.411 ' O ' HG23 ' A' ' 52' ' ' VAL . 45.9 mt -39.58 -50.96 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.294 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -45.99 -44.94 15.43 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 110.277 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.706 ' HB1' ' ND1' ' A' ' 44' ' ' HIS . . . -83.39 -57.26 3.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.304 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.541 ' HB1' HG22 ' A' ' 40' ' ' THR . . . -42.15 -47.31 4.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 109.254 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.411 HG23 ' O ' ' A' ' 48' ' ' ILE . 15.4 t -52.87 -45.35 50.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.149 . . . . 0.0 109.265 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.439 ' N ' ' O ' ' A' ' 50' ' ' ALA . 24.2 mm100 . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 0.0 110.329 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 65.5 p . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 110.398 -0.223 . . . . 0.0 110.398 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 31.0 mt-30 -47.91 -55.37 10.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 110.305 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -47.18 -61.63 1.8 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.127 . . . . 0.0 110.286 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.57 ' NE2' ' CE2' ' A' ' 46' ' ' TRP . 0.9 OUTLIER -52.66 -59.72 4.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 110.296 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.7 m -41.39 -63.36 0.71 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 110.429 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -41.51 -57.29 2.27 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.129 . . . . 0.0 110.286 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.471 ' O ' HD11 ' A' ' 48' ' ' ILE . 1.9 mttp -45.01 -49.61 11.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.117 . . . . 0.0 109.304 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.622 HD13 ' SD ' ' A' ' 34' ' ' MET . 1.1 mt -49.81 -57.61 7.02 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 109.304 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.441 HD23 ' N ' ' A' ' 23' ' ' LEU . 5.3 mt -41.82 -58.43 2.02 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 0.0 109.282 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.559 ' C ' HD12 ' A' ' 28' ' ' LEU . 0.8 OUTLIER -45.99 -69.37 0.13 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 110.305 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.713 ' CZ ' HG21 ' A' ' 29' ' ' THR . 87.5 t80 -44.42 -58.2 3.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.113 . . . . 0.0 111.044 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.435 ' O ' ' N ' ' A' ' 30' ' ' GLY . 38.8 tt0 -43.92 -69.17 0.14 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 110.292 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -41.89 -49.1 4.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 109.316 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.559 HD12 ' C ' ' A' ' 24' ' ' GLN . 2.9 mt -58.79 -65.7 0.62 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.512 1.133 . . . . 0.0 109.305 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.713 HG21 ' CZ ' ' A' ' 25' ' ' PHE . 7.9 p -53.07 -72.36 0.06 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.545 1.153 . . . . 0.0 110.394 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.435 ' N ' ' O ' ' A' ' 26' ' ' GLN . . . 120.55 2.74 11.68 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.496 1.122 . . . . 0.0 110.956 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 21.5 mt -62.5 150.76 8.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.443 0.731 . . . . 0.0 109.3 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 15.8 tt0 -97.47 -54.15 3.23 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.564 1.165 . . . . 0.0 110.289 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.0 m -66.53 93.76 0.25 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.523 1.14 . . . . 0.0 109.994 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' MET . . . . . 0.622 ' SD ' HD13 ' A' ' 22' ' ' LEU . 1.4 mmt -37.99 -43.46 0.72 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 111.005 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 28.7 m-20 -47.06 -53.99 11.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.547 1.154 . . . . 0.0 109.28 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 15.1 mt-30 -49.89 -36.32 26.91 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.506 1.129 . . . . 0.0 110.295 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.474 ' HB3' ' CD2' ' A' ' 22' ' ' LEU . 1.7 m -72.25 -72.75 0.22 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 108.334 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.417 ' HG3' ' CZ2' ' A' ' 46' ' ' TRP . 7.2 ttt180 -38.68 -29.99 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 110.279 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.445 ' N ' ' O ' ' A' ' 37' ' ' CYS . 3.3 t-80 -63.15 -66.93 0.47 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 109.622 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.944 HG22 ' HB1' ' A' ' 51' ' ' ALA . 1.2 m -50.3 -25.55 3.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.571 1.169 . . . . 0.0 110.419 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.444 HD21 HG12 ' A' ' 48' ' ' ILE . 13.6 mt -82.19 -69.07 0.65 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.482 1.114 . . . . 0.0 109.309 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -38.41 -47.67 1.27 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 110.294 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -50.52 -64.35 0.84 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 110.323 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.679 ' CE1' ' HB1' ' A' ' 50' ' ' ALA . 3.5 m-70 -67.55 -9.39 42.23 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.501 1.125 . . . . 0.0 109.557 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.554 ' CB ' ' O ' ' A' ' 44' ' ' HIS . 1.3 m-20 85.82 59.86 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.474 1.109 . . . . 0.0 109.291 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' TRP . . . . . 0.57 ' CE2' ' NE2' ' A' ' 18' ' ' GLN . 83.9 m95 43.52 62.82 1.75 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 108.012 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' ASN . . . . . 0.455 ' O ' ' N ' ' A' ' 50' ' ' ALA . 1.5 m-20 -127.63 78.55 1.83 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 109.297 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.551 HG23 HG23 ' A' ' 52' ' ' VAL . 39.9 mt -41.66 -47.95 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.436 1.085 . . . . 0.0 109.307 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -48.49 -41.31 29.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 110.261 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.679 ' HB1' ' CE1' ' A' ' 44' ' ' HIS . . . -86.67 -54.86 4.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 109.326 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.944 ' HB1' HG22 ' A' ' 40' ' ' THR . . . -46.37 -49.75 17.4 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.554 1.159 . . . . 0.0 109.288 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.551 HG23 HG23 ' A' ' 48' ' ' ILE . 39.4 t -53.06 -32.87 19.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.522 1.139 . . . . 0.0 109.243 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.455 ' N ' ' O ' ' A' ' 50' ' ' ALA . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 110.286 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.404 ' O ' ' C ' ' A' ' 16' ' ' GLN . 72.4 p . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 110.392 -0.225 . . . . 0.0 110.392 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.404 ' C ' ' O ' ' A' ' 15' ' ' THR . 0.0 OUTLIER -38.78 -59.71 0.92 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 0.0 110.298 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -43.12 -60.64 1.58 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.139 . . . . 0.0 110.304 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 45.8 mt-30 -55.45 -62.72 1.49 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.443 1.09 . . . . 0.0 110.318 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 24.4 m -41.76 -59.06 1.78 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 110.377 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -43.1 -62.14 1.12 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 0.0 110.338 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.494 ' O ' HD11 ' A' ' 48' ' ' ILE . 2.7 mttp -40.86 -47.98 3.02 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.448 1.092 . . . . 0.0 109.293 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.564 HD13 ' SD ' ' A' ' 34' ' ' MET . 0.4 OUTLIER -50.57 -59.03 4.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.315 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.457 HD23 ' N ' ' A' ' 23' ' ' LEU . 4.6 mt -41.87 -56.17 2.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 109.308 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.579 ' OE1' HD11 ' A' ' 28' ' ' LEU . 0.1 OUTLIER -46.51 -69.1 0.14 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 110.324 179.956 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.851 ' CZ ' HG21 ' A' ' 29' ' ' THR . 74.2 t80 -41.56 -60.73 1.23 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.472 1.107 . . . . 0.0 111.041 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.431 ' O ' ' N ' ' A' ' 30' ' ' GLY . 38.0 tt0 -40.67 -68.91 0.15 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.534 1.147 . . . . 0.0 110.326 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 11.1 t0 -43.02 -50.18 5.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 109.314 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.579 HD11 ' OE1' ' A' ' 24' ' ' GLN . 3.0 mt -58.01 -73.77 0.07 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.509 1.131 . . . . 0.0 109.298 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.851 HG21 ' CZ ' ' A' ' 25' ' ' PHE . 12.0 p -44.36 -64.24 0.72 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.517 1.136 . . . . 0.0 110.436 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.431 ' N ' ' O ' ' A' ' 26' ' ' GLN . . . 110.96 17.23 9.13 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.495 1.122 . . . . 0.0 111.056 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 32.5 mt -77.37 147.34 7.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.5 0.765 . . . . 0.0 109.328 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -87.49 -58.34 2.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 110.296 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 9.0 m -67.17 122.34 17.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 110.03 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' MET . . . . . 0.564 ' SD ' HD13 ' A' ' 22' ' ' LEU . 2.8 mmt -62.53 -47.24 84.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.546 1.154 . . . . 0.0 110.957 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 11.2 t0 -44.15 -52.25 7.45 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.552 1.158 . . . . 0.0 109.324 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 4.6 mm100 -52.78 -35.72 56.99 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.535 1.147 . . . . 0.0 110.351 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.47 ' HB3' ' CD2' ' A' ' 22' ' ' LEU . 1.7 m -72.51 -73.13 0.21 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.154 . . . . 0.0 108.3 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.454 ' HB2' HD11 ' A' ' 22' ' ' LEU . 0.4 OUTLIER -37.52 -31.91 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.565 1.166 . . . . 0.0 110.262 -179.978 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.447 ' N ' ' O ' ' A' ' 37' ' ' CYS . 13.2 t-160 -61.27 -64.21 1.03 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 0.0 109.597 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.8 HG22 ' HB1' ' A' ' 51' ' ' ALA . 1.3 m -51.99 -30.32 24.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 110.376 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.401 ' O ' ' C ' ' A' ' 42' ' ' GLU . 11.9 mt -77.36 -69.12 0.55 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 0.0 109.315 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.401 ' C ' ' O ' ' A' ' 41' ' ' LEU . 2.1 mm-40 -38.17 -45.92 1.0 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 0.0 110.333 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -49.79 -65.29 0.59 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 110.289 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.613 ' ND1' ' HB1' ' A' ' 50' ' ' ALA . 12.5 m-70 -67.56 -9.65 44.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.104 . . . . 0.0 109.592 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.573 ' CB ' ' O ' ' A' ' 44' ' ' HIS . 21.9 t30 87.37 57.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.146 . . . . 0.0 109.317 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 82.4 m95 46.06 61.71 2.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 107.997 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' ASN . . . . . 0.456 ' O ' ' N ' ' A' ' 50' ' ' ALA . 2.9 m-20 -127.38 79.2 1.87 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.478 1.111 . . . . 0.0 109.253 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.523 ' O ' HG23 ' A' ' 52' ' ' VAL . 29.3 mt -40.39 -48.39 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.543 1.152 . . . . 0.0 109.305 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -48.12 -43.98 31.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 110.309 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.613 ' HB1' ' ND1' ' A' ' 44' ' ' HIS . . . -84.26 -54.81 4.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.293 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.8 ' HB1' HG22 ' A' ' 40' ' ' THR . . . -45.17 -49.26 12.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.53 1.143 . . . . 0.0 109.316 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.523 HG23 ' O ' ' A' ' 48' ' ' ILE . 37.7 t -51.75 -36.47 18.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 109.277 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.445 ' N ' ' O ' ' A' ' 50' ' ' ALA . 2.5 tp-100 . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.144 . . . . 0.0 110.318 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 19.7 p . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 110.383 -0.229 . . . . 0.0 110.383 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -39.45 -59.14 1.13 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 0.0 110.308 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 31.4 mt-10 -46.55 -67.59 0.27 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 110.309 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 58.0 mt-30 -39.76 -62.79 0.66 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.517 1.136 . . . . 0.0 110.281 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 8.5 m -41.37 -56.7 2.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.127 . . . . 0.0 110.418 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -46.06 -57.87 4.09 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.553 1.158 . . . . 0.0 110.304 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.5 ' O ' HD11 ' A' ' 48' ' ' ILE . 1.4 mttt -44.43 -47.83 9.9 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.458 1.098 . . . . 0.0 109.267 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.503 HD11 ' HB2' ' A' ' 38' ' ' ARG . 0.2 OUTLIER -50.89 -57.28 8.88 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 109.26 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.457 HD23 ' N ' ' A' ' 23' ' ' LEU . 4.6 mt -43.62 -54.83 4.7 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.532 1.145 . . . . 0.0 109.311 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.585 ' C ' HD12 ' A' ' 28' ' ' LEU . 2.0 mt-30 -49.62 -67.86 0.23 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.448 1.093 . . . . 0.0 110.308 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.594 ' O ' HG23 ' A' ' 29' ' ' THR . 34.7 t80 -41.46 -60.56 1.26 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 110.996 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.443 ' O ' ' N ' ' A' ' 30' ' ' GLY . 25.0 tt0 -47.8 -72.56 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.149 . . . . 0.0 110.297 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.407 ' C ' ' O ' ' A' ' 26' ' ' GLN . 0.4 OUTLIER -40.09 -47.25 2.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.247 -179.922 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.585 HD12 ' C ' ' A' ' 24' ' ' GLN . 5.2 mt -60.67 -74.15 0.08 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.297 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.594 HG23 ' O ' ' A' ' 25' ' ' PHE . 69.8 p -48.1 -68.42 0.19 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 110.388 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 26' ' ' GLN . . . 116.85 13.53 7.82 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.533 1.146 . . . . 0.0 111.028 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.403 ' O ' ' C ' ' A' ' 32' ' ' GLU . 10.3 mt -71.95 96.95 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.536 0.786 . . . . 0.0 109.281 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.403 ' C ' ' O ' ' A' ' 31' ' ' ILE . 1.6 mt-10 -38.62 -62.68 0.58 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 110.338 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.8 m -54.99 131.77 45.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 109.945 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' MET . . . . . 0.404 ' O ' ' N ' ' A' ' 37' ' ' CYS . 1.7 tpt -75.94 -56.05 5.03 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.5 1.125 . . . . 0.0 110.965 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -48.11 -40.88 24.85 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 109.271 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 16.6 mm100 -57.79 -33.99 69.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.457 1.098 . . . . 0.0 110.313 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.488 ' HB3' HD21 ' A' ' 22' ' ' LEU . 0.8 OUTLIER -73.98 -73.84 0.21 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.113 . . . . 0.0 108.319 179.95 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.503 ' HB2' HD11 ' A' ' 22' ' ' LEU . 2.6 ttp180 -38.66 -38.75 0.43 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.542 1.151 . . . . 0.0 110.35 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 1.7 t-80 -46.32 -60.6 2.23 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.444 1.09 . . . . 0.0 109.635 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.493 HG22 ' HB1' ' A' ' 51' ' ' ALA . 1.8 m -56.61 -61.03 2.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 110.42 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.594 HD11 ' CB ' ' A' ' 25' ' ' PHE . 8.2 mt -42.18 -64.91 0.52 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 109.317 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.401 ' C ' ' O ' ' A' ' 41' ' ' LEU . 0.0 OUTLIER -38.09 -52.9 1.42 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 110.308 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -55.9 -57.42 12.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.567 1.167 . . . . 0.0 110.286 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.579 ' ND1' ' HB1' ' A' ' 50' ' ' ALA . 12.5 m-70 -62.76 -13.25 30.69 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.123 . . . . 0.0 109.593 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.56 ' CB ' ' O ' ' A' ' 44' ' ' HIS . 27.0 t30 86.8 42.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 0.0 109.312 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 91.6 m95 57.28 55.34 5.94 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.111 . . . . 0.0 108.004 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' ASN . . . . . 0.437 ' O ' ' N ' ' A' ' 50' ' ' ALA . 1.0 OUTLIER -121.29 76.73 1.26 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 109.291 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.561 HG12 HD21 ' A' ' 41' ' ' LEU . 19.7 mt -39.34 -51.93 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 109.315 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -46.5 -46.33 19.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 110.3 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.579 ' HB1' ' ND1' ' A' ' 44' ' ' HIS . . . -79.49 -59.61 2.69 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.482 1.113 . . . . 0.0 109.288 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.493 ' HB1' HG22 ' A' ' 40' ' ' THR . . . -41.41 -51.38 3.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 109.31 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 6.8 t -48.72 -55.34 3.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.293 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.462 1.101 . . . . 0.0 110.268 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.991 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -124.69 86.9 2.63 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.486 0.757 . . . . 0.0 109.998 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.5 m 44.01 85.24 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.559 1.162 . . . . 0.0 110.03 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -146.31 67.72 0.4 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.456 1.097 . . . . 0.0 111.01 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.2 t -119.18 106.02 11.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 0.774 . . . . 0.0 110.01 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 34.2 t -98.84 121.11 40.36 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 109.966 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 171.37 -155.66 24.73 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.47 1.106 . . . . 0.0 111.013 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.471 ' HB1' ' HD2' ' A' ' 9' ' ' PRO . . . -113.53 163.06 19.46 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.547 0.793 . . . . 0.0 109.323 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.471 ' HD2' ' HB1' ' A' ' 8' ' ' ALA . 18.3 Cg_endo -75.02 60.31 5.43 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.533 1.807 . . . . 0.0 110.969 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -122.76 168.35 12.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 110.291 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -147.82 123.35 10.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.536 1.147 . . . . 0.0 110.273 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 25.5 mtt180 -121.07 107.1 12.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 110.297 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -106.51 133.69 50.8 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.546 1.154 . . . . 0.0 109.279 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.442 HD22 ' CZ2' ' A' ' 46' ' ' TRP . 15.6 mt -90.5 173.88 7.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 109.26 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 16.9 p -99.98 157.83 16.25 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.127 . . . . 0.0 110.373 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -43.72 -61.42 1.42 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.562 1.164 . . . . 0.0 110.335 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 19.7 tt0 -43.73 -64.34 0.68 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.521 1.138 . . . . 0.0 110.265 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.483 ' NE2' ' CE2' ' A' ' 46' ' ' TRP . 69.0 mt-30 -47.96 -60.12 2.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.145 . . . . 0.0 110.329 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 7.7 m -39.67 -58.97 1.22 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 110.451 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -47.38 -55.63 8.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 110.285 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.546 ' O ' HD11 ' A' ' 48' ' ' ILE . 16.0 mttp -44.77 -48.43 10.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.296 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.601 HD13 ' HE2' ' A' ' 34' ' ' MET . 1.8 mt -51.49 -59.34 4.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 109.311 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.445 HD23 ' N ' ' A' ' 23' ' ' LEU . 5.0 mt -40.56 -52.9 2.8 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 0.0 109.279 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.559 ' OE1' HD11 ' A' ' 28' ' ' LEU . 0.0 OUTLIER -52.93 -68.02 0.2 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 110.309 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.684 ' CZ ' HG21 ' A' ' 29' ' ' THR . 51.3 t80 -44.97 -57.33 3.88 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 111.033 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.431 ' O ' ' N ' ' A' ' 30' ' ' GLY . 1.1 tt0 -42.81 -58.54 2.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.105 . . . . 0.0 110.298 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -55.85 -55.13 36.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.132 . . . . 0.0 109.309 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.559 HD11 ' OE1' ' A' ' 24' ' ' GLN . 3.1 mt -50.28 -69.15 0.12 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 109.242 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.684 HG21 ' CZ ' ' A' ' 25' ' ' PHE . 29.5 p -53.61 -71.36 0.07 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 110.41 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.431 ' N ' ' O ' ' A' ' 26' ' ' GLN . . . 115.36 13.87 8.66 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.517 1.136 . . . . 0.0 110.981 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.509 HD11 ' HD3' ' A' ' 55' ' ' ARG . 12.5 mt -70.1 149.32 10.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.507 0.769 . . . . 0.0 109.328 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 15.6 tt0 -92.3 -57.9 2.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 110.306 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.8 m -60.22 100.07 0.09 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.541 1.151 . . . . 0.0 110.012 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' MET . . . . . 0.601 ' HE2' HD13 ' A' ' 22' ' ' LEU . 0.7 OUTLIER -44.26 -48.44 9.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 0.0 110.996 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -48.21 -53.32 17.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 109.331 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 9.8 mm100 -47.67 -43.49 26.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 0.0 110.282 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.465 ' HB3' ' CD2' ' A' ' 22' ' ' LEU . 1.3 m -60.72 -73.58 0.09 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 108.305 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.505 ' HG3' ' CZ2' ' A' ' 46' ' ' TRP . 4.9 ttp180 -40.52 -34.72 0.38 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.455 1.097 . . . . 0.0 110.284 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 8.9 t-160 -53.95 -70.4 0.1 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.134 . . . . 0.0 109.594 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.824 HG22 ' HB1' ' A' ' 51' ' ' ALA . 1.3 m -46.46 -33.85 4.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 0.0 110.419 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.428 HD21 ' CG1' ' A' ' 48' ' ' ILE . 7.9 mt -70.58 -68.38 0.43 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.12 . . . . 0.0 109.284 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.434 ' OE2' ' NE1' ' A' ' 46' ' ' TRP . 5.3 mm-40 -38.11 -50.62 1.39 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 110.288 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 1.3 mm-40 -50.26 -64.17 0.89 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.446 1.091 . . . . 0.0 110.337 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.821 ' CE1' ' HB1' ' A' ' 50' ' ' ALA . 3.7 m-70 -65.0 -11.83 43.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.579 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.538 ' CB ' ' O ' ' A' ' 44' ' ' HIS . 2.1 t-20 86.38 58.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.27 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' TRP . . . . . 0.505 ' CZ2' ' HG3' ' A' ' 38' ' ' ARG . 85.3 m95 43.93 58.74 3.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 107.985 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ASN . . . . . 0.445 ' O ' ' N ' ' A' ' 50' ' ' ALA . 2.0 m-20 -124.92 75.92 1.48 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.108 . . . . 0.0 109.277 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.546 HD11 ' O ' ' A' ' 21' ' ' LYS . 64.7 mt -40.4 -48.38 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 109.323 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.487 ' O ' ' NE2' ' A' ' 53' ' ' GLN . 0.3 OUTLIER -46.8 -44.27 19.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.151 . . . . 0.0 110.312 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.821 ' HB1' ' CE1' ' A' ' 44' ' ' HIS . . . -85.83 -57.13 3.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 109.279 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.824 ' HB1' HG22 ' A' ' 40' ' ' THR . . . -42.34 -43.19 3.43 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 109.306 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.51 ' O ' HD12 ' A' ' 56' ' ' LEU . 13.5 t -57.31 -50.9 75.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.512 1.133 . . . . 0.0 109.295 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.487 ' NE2' ' O ' ' A' ' 49' ' ' GLU . 2.6 mp0 -62.02 -53.13 59.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.538 1.149 . . . . 0.0 110.27 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.405 ' HB2' ' NE2' ' A' ' 44' ' ' HIS . 0.8 OUTLIER -57.78 -25.11 60.06 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.421 1.075 . . . . 0.0 109.263 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.627 ' HG2' HG22 ' A' ' 29' ' ' THR . 0.0 OUTLIER -77.44 -49.17 15.39 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.536 1.147 . . . . 0.0 110.294 -179.964 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.51 HD12 ' O ' ' A' ' 52' ' ' VAL . 0.5 OUTLIER -71.47 -54.07 11.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.12 . . . . 0.0 109.273 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.404 ' C ' ' O ' ' A' ' 56' ' ' LEU . 14.5 m-20 -40.13 -52.91 2.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.149 . . . . 0.0 109.34 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -77.92 88.83 4.1 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 110.33 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 62.07 111.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 110.298 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -119.66 152.41 37.17 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 0.0 110.298 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -63.25 -64.05 4.07 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.472 1.108 . . . . 0.0 110.986 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 3.2 m -155.87 121.32 4.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 0.769 . . . . 0.0 109.975 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 106.86 96.0 2.44 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.462 1.101 . . . . 0.0 110.982 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -36.89 2.27 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.465 1.771 . . . . 0.0 111.014 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 53.7 p -138.5 154.68 48.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.454 1.096 . . . . 0.0 110.064 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 3.6 m -131.99 167.76 19.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.996 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 O-C-N 124.49 1.119 . . . . 0.0 111.033 -179.973 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 N-CA-C 111.026 -0.829 . . . . 0.0 111.026 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 37.0 t -154.09 121.63 5.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 0.768 . . . . 0.0 110.001 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -172.44 158.91 4.42 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.469 1.105 . . . . 0.0 109.999 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -158.22 134.63 3.94 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.517 1.136 . . . . 0.0 110.996 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 70.7 p -152.93 111.47 3.71 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.48 0.753 . . . . 0.0 110.006 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.402 ' O ' ' C ' ' A' ' 7' ' ' GLY . 1.4 t -149.04 157.65 43.57 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.491 1.119 . . . . 0.0 109.966 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.402 ' C ' ' O ' ' A' ' 6' ' ' SER . . . -37.77 112.68 0.19 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.494 1.121 . . . . 0.0 111.023 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -163.74 92.87 1.09 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.515 0.773 . . . . 0.0 109.276 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 63.33 5.98 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.523 1.801 . . . . 0.0 110.974 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -172.66 141.0 1.06 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.437 1.085 . . . . 0.0 110.266 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -155.93 140.29 16.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 0.0 110.33 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.08 146.89 23.99 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 0.0 110.285 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 29.4 m-20 -130.69 146.89 52.28 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.524 1.14 . . . . 0.0 109.276 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 31.9 mt -112.63 171.22 7.66 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.45 1.094 . . . . 0.0 109.31 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 34.9 p -115.0 152.52 32.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 110.398 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -39.08 -56.62 1.41 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 0.0 110.32 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -44.92 -59.93 2.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 110.297 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 72.3 mt-30 -49.21 -59.48 3.63 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 110.273 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 5.7 m -39.16 -59.46 1.01 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 0.0 110.412 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -45.23 -60.56 2.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.455 1.097 . . . . 0.0 110.334 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 7.8 mttm -40.43 -49.61 2.85 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 1.139 . . . . 0.0 109.305 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.471 HD13 ' CE ' ' A' ' 34' ' ' MET . 1.7 mt -50.38 -60.14 3.29 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 109.331 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.435 HD23 ' N ' ' A' ' 23' ' ' LEU . 4.9 mt -40.33 -51.94 2.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.152 . . . . 0.0 109.303 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -51.63 -67.91 0.21 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 110.286 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.617 ' CZ ' HG21 ' A' ' 29' ' ' THR . 70.2 t80 -49.39 -44.46 45.04 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.531 1.145 . . . . 0.0 111.004 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 -54.95 -42.63 72.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 110.337 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -70.73 -51.6 26.25 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.504 1.127 . . . . 0.0 109.315 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.7 mt -50.92 -68.59 0.16 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.45 1.094 . . . . 0.0 109.274 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.617 HG21 ' CZ ' ' A' ' 25' ' ' PHE . 70.0 p -57.63 -70.2 0.14 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.107 . . . . 0.0 110.369 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 113.58 21.3 5.82 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.46 1.1 . . . . 0.0 110.988 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.443 HD11 ' HD3' ' A' ' 55' ' ' ARG . 12.5 mt -73.94 156.1 6.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.491 0.759 . . . . 0.0 109.315 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -101.34 -51.7 3.42 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.485 1.116 . . . . 0.0 110.318 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 20.1 m -65.9 98.95 0.44 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.44 1.087 . . . . 0.0 109.966 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' MET . . . . . 0.471 ' CE ' HD13 ' A' ' 22' ' ' LEU . 0.0 OUTLIER -44.32 -40.92 5.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 111.004 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -54.22 -50.25 67.57 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 0.0 109.292 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 12.3 mm100 -51.81 -39.77 59.32 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.133 . . . . 0.0 110.335 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.459 ' HB3' ' CD2' ' A' ' 22' ' ' LEU . 1.7 m -66.71 -73.72 0.13 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.555 1.16 . . . . 0.0 108.334 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -38.73 -34.3 0.14 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 110.299 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 3.0 t-80 -59.0 -64.59 0.89 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.448 1.093 . . . . 0.0 109.611 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.86 HG22 ' HB1' ' A' ' 51' ' ' ALA . 1.6 m -50.85 -37.21 41.85 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 110.367 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 9.0 mt -70.09 -69.19 0.37 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.45 1.094 . . . . 0.0 109.285 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.439 ' OE2' ' NE1' ' A' ' 46' ' ' TRP . 7.4 mm-40 -38.77 -46.33 1.25 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.544 1.152 . . . . 0.0 110.305 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.07 -64.64 0.75 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 110.307 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.68 ' ND1' ' HB1' ' A' ' 50' ' ' ALA . 14.5 m-70 -68.28 -9.71 49.53 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.457 1.098 . . . . 0.0 109.583 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.56 ' CB ' ' O ' ' A' ' 44' ' ' HIS . 1.5 t30 86.55 58.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 0.0 109.335 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' TRP . . . . . 0.439 ' NE1' ' OE2' ' A' ' 42' ' ' GLU . 83.3 m95 45.25 59.82 3.33 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.515 1.134 . . . . 0.0 108.002 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ASN . . . . . 0.449 ' O ' ' N ' ' A' ' 50' ' ' ALA . 1.1 m120 -126.67 78.07 1.76 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.291 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.453 HG23 HG23 ' A' ' 52' ' ' VAL . 63.1 mt -40.25 -49.13 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.108 . . . . 0.0 109.288 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -46.7 -44.45 18.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 110.279 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.68 ' HB1' ' ND1' ' A' ' 44' ' ' HIS . . . -84.97 -57.53 3.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 0.0 109.298 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.86 ' HB1' HG22 ' A' ' 40' ' ' THR . . . -42.2 -45.36 4.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 109.322 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.578 ' O ' HD12 ' A' ' 56' ' ' LEU . 13.3 t -54.83 -47.74 74.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.261 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.418 ' N ' ' O ' ' A' ' 50' ' ' ALA . 2.4 mm-40 -63.73 -58.02 8.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 110.284 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.457 ' HB2' ' CD2' ' A' ' 44' ' ' HIS . 0.5 OUTLIER -54.28 -20.61 7.4 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.146 . . . . 0.0 109.324 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.597 ' HG2' HG22 ' A' ' 29' ' ' THR . 7.1 tpt180 -82.65 -49.63 9.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 110.33 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.578 HD12 ' O ' ' A' ' 52' ' ' VAL . 0.5 OUTLIER -72.44 -54.67 8.66 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.442 1.089 . . . . 0.0 109.247 -179.974 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.515 ' O ' ' CB ' ' A' ' 58' ' ' GLU . 8.9 m-80 -45.26 -59.94 2.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.31 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.515 ' CB ' ' O ' ' A' ' 57' ' ' ASN . 14.6 tt0 87.6 -41.22 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 110.297 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -77.18 108.88 10.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 110.283 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -85.59 119.89 26.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 110.355 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 91.6 -169.8 33.14 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.526 1.141 . . . . 0.0 110.988 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -104.73 -60.82 1.54 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 0.761 . . . . 0.0 110.015 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -130.14 -85.48 0.39 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.422 1.076 . . . . 0.0 110.993 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 87.78 1.3 Allowed 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.52 1.8 . . . . 0.0 110.987 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -111.7 143.18 43.03 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.113 . . . . 0.0 110.018 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 2.3 t -130.64 159.74 36.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.441 1.088 . . . . 0.0 110.042 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.026 0 O-C-N 124.548 1.155 . . . . 0.0 111.006 179.994 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.6 m 63.74 156.28 0.07 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.497 0.763 . . . . 0.0 109.963 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.7 t -141.68 164.29 30.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 110.039 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 85.88 85.75 1.03 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.514 1.134 . . . . 0.0 111.006 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.6 m -58.34 160.33 5.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 0.764 . . . . 0.0 110.011 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.1 m -70.71 149.18 47.2 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.578 1.174 . . . . 0.0 110.043 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -158.15 63.5 0.31 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.457 1.098 . . . . 0.0 111.015 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -174.14 92.59 0.33 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.483 0.755 . . . . 0.0 109.33 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 60.15 5.35 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.475 1.776 . . . . 0.0 110.988 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -136.67 130.55 32.32 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.557 1.161 . . . . 0.0 110.305 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -94.83 61.17 2.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 110.284 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -121.62 133.56 54.99 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 110.32 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 60.59 163.05 0.06 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.455 1.097 . . . . 0.0 109.295 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 18.3 mt -101.18 173.19 6.57 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.533 1.146 . . . . 0.0 109.3 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 74.1 p -107.31 160.39 15.65 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.482 1.114 . . . . 0.0 110.411 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.3 tp60 -47.47 -60.43 2.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 110.299 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 -42.47 -62.16 1.04 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 0.0 110.278 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 12.9 mm-40 -48.35 -59.38 3.5 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.453 1.096 . . . . 0.0 110.302 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 23.5 m -42.56 -59.85 1.74 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 110.402 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -41.34 -59.11 1.64 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.546 1.153 . . . . 0.0 110.316 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.641 ' O ' HD11 ' A' ' 48' ' ' ILE . 0.8 OUTLIER -43.7 -47.03 7.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 109.252 -179.97 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.834 HD13 ' HE3' ' A' ' 34' ' ' MET . 1.1 mt -52.97 -59.44 4.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.137 . . . . 0.0 109.318 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.443 HD23 ' N ' ' A' ' 23' ' ' LEU . 5.0 mt -40.13 -52.49 2.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 109.308 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.474 ' C ' HD12 ' A' ' 28' ' ' LEU . 2.7 mm-40 -50.29 -67.88 0.22 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.479 1.112 . . . . 0.0 110.291 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.766 ' CZ ' HG21 ' A' ' 29' ' ' THR . 69.5 t80 -46.28 -60.19 2.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.553 1.158 . . . . 0.0 110.991 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.449 ' O ' ' N ' ' A' ' 30' ' ' GLY . 0.7 OUTLIER -40.95 -58.41 1.72 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.13 . . . . 0.0 110.264 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -55.43 -53.72 52.71 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 109.28 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.474 HD12 ' C ' ' A' ' 24' ' ' GLN . 3.6 mt -52.35 -67.85 0.22 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.142 . . . . 0.0 109.281 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.766 HG21 ' CZ ' ' A' ' 25' ' ' PHE . 34.5 p -54.47 -71.4 0.08 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 110.411 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 26' ' ' GLN . . . 112.77 10.66 16.0 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.496 1.123 . . . . 0.0 111.057 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.672 HD11 ' HD3' ' A' ' 55' ' ' ARG . 21.7 mt -61.97 153.71 5.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.513 0.772 . . . . 0.0 109.316 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 16.4 tt0 -99.54 -56.72 2.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 110.316 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.438 ' O ' ' N ' ' A' ' 36' ' ' GLN . 0.3 OUTLIER -62.86 90.8 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.996 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 34' ' ' MET . . . . . 0.834 ' HE3' HD13 ' A' ' 22' ' ' LEU . 0.0 OUTLIER -38.01 -45.39 0.89 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 0.0 111.026 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -44.25 -47.08 9.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.128 . . . . 0.0 109.247 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.441 ' HB2' HG21 ' A' ' 31' ' ' ILE . 64.5 mt-30 -56.85 -47.51 80.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 110.311 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.48 ' HB3' ' CD2' ' A' ' 22' ' ' LEU . 6.1 m -51.83 -73.98 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 108.298 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -41.0 -38.58 1.0 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.491 1.12 . . . . 0.0 110.338 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 7.3 t-160 -54.84 -71.94 0.07 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.461 1.101 . . . . 0.0 109.576 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' THR . . . . . 1.025 HG22 ' HB1' ' A' ' 51' ' ' ALA . 1.4 m -42.39 -46.13 4.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.107 . . . . 0.0 110.428 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.418 HD21 HG12 ' A' ' 48' ' ' ILE . 16.6 mt -62.82 -72.01 0.15 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.477 1.111 . . . . 0.0 109.284 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.4 ' C ' ' O ' ' A' ' 41' ' ' LEU . 1.8 mm-40 -38.03 -44.89 0.85 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 110.343 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 1.5 mm-40 -50.68 -62.57 1.52 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 110.323 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.625 ' ND1' ' HB1' ' A' ' 50' ' ' ALA . 12.6 m-70 -71.37 -9.6 58.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.598 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.576 ' CB ' ' O ' ' A' ' 44' ' ' HIS . 11.3 t-20 87.7 57.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.117 . . . . 0.0 109.332 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 85.0 m95 46.72 56.72 6.25 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.515 1.135 . . . . 0.0 108.001 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ASN . . . . . 0.441 ' O ' ' N ' ' A' ' 50' ' ' ALA . 2.2 m-20 -123.56 78.0 1.55 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.12 . . . . 0.0 109.291 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.641 HD11 ' O ' ' A' ' 21' ' ' LYS . 56.2 mt -39.49 -52.1 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.554 1.159 . . . . 0.0 109.301 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -45.44 -45.25 12.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.457 1.098 . . . . 0.0 110.268 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.625 ' HB1' ' ND1' ' A' ' 44' ' ' HIS . . . -82.56 -58.48 2.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.283 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 1.025 ' HB1' HG22 ' A' ' 40' ' ' THR . . . -41.55 -49.21 4.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.452 1.095 . . . . 0.0 109.285 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.465 ' O ' HD12 ' A' ' 56' ' ' LEU . 5.9 t -51.88 -46.14 40.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.521 1.138 . . . . 0.0 109.274 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.434 ' N ' ' O ' ' A' ' 50' ' ' ALA . 10.6 mm-40 -62.4 -58.02 9.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 110.328 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.409 ' HB2' ' NE2' ' A' ' 44' ' ' HIS . 25.8 t70 -55.69 -21.88 20.56 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.459 1.1 . . . . 0.0 109.317 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.7 ' HG2' HG22 ' A' ' 29' ' ' THR . 8.6 tpt180 -80.81 -51.61 8.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 110.295 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.465 HD12 ' O ' ' A' ' 52' ' ' VAL . 0.4 OUTLIER -69.96 -52.44 24.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 109.343 179.942 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 25.4 m-20 -47.35 -52.92 15.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.284 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 40.42 70.49 0.24 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.13 . . . . 0.0 110.32 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -161.91 94.53 0.94 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 110.302 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -74.55 129.51 37.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.108 . . . . 0.0 110.31 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -159.29 -157.96 8.84 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.531 1.144 . . . . 0.0 110.995 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 60.6 p -172.94 142.81 1.13 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.535 0.785 . . . . 0.0 110.039 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 103.11 157.23 25.12 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.519 1.137 . . . . 0.0 110.978 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 153.77 42.07 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.475 1.776 . . . . 0.0 110.991 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 54.0 p -76.74 77.85 3.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.544 1.153 . . . . 0.0 110.013 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -70.51 -59.74 2.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 110.021 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.033 0 O-C-N 124.494 1.121 . . . . 0.0 110.972 -179.988 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 27.4 m -143.1 128.79 19.25 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 0.764 . . . . 0.0 109.988 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 50.4 m 62.29 135.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.11 . . . . 0.0 110.019 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -85.64 -151.35 16.09 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.519 1.137 . . . . 0.0 110.975 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 45.5 t -130.43 136.79 49.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 0.772 . . . . 0.0 110.003 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 34.9 m 61.58 104.16 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.129 . . . . 0.0 109.999 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -140.73 77.34 0.31 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.52 1.137 . . . . 0.0 110.979 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -169.2 153.95 5.69 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.539 0.787 . . . . 0.0 109.338 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 55.91 4.09 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.538 1.809 . . . . 0.0 111.017 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 55.26 170.2 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.445 1.09 . . . . 0.0 110.257 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -112.93 132.92 55.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.455 1.097 . . . . 0.0 110.299 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 4.7 ttt180 -87.4 122.56 31.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 110.296 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -78.44 139.45 38.73 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.486 1.116 . . . . 0.0 109.318 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 21.1 mt -105.09 173.8 6.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.14 . . . . 0.0 109.312 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 69.2 p -104.74 159.54 15.7 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 110.381 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -47.01 -58.43 3.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 0.0 110.294 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -43.35 -62.99 0.9 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 0.0 110.278 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 54.0 mt-30 -47.92 -60.89 2.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.457 1.098 . . . . 0.0 110.328 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.7 m -39.53 -60.82 0.89 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.446 1.091 . . . . 0.0 110.4 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -41.65 -61.12 1.15 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.493 1.121 . . . . 0.0 110.307 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 8.0 mttp -40.95 -50.27 3.27 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.114 . . . . 0.0 109.312 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.47 ' CD2' ' HB3' ' A' ' 37' ' ' CYS . 1.1 mt -49.5 -59.29 3.88 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.149 . . . . 0.0 109.293 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.444 HD23 ' N ' ' A' ' 23' ' ' LEU . 5.1 mt -40.79 -54.72 2.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 109.313 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 3.9 mm-40 -50.19 -67.95 0.21 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 0.0 110.303 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.717 ' CZ ' HG21 ' A' ' 29' ' ' THR . 72.4 t80 -46.46 -46.43 18.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 111.063 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 6.1 tt0 -54.06 -44.31 70.98 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.11 . . . . 0.0 110.335 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -68.87 -47.23 66.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 109.3 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.9 mt -57.0 -66.54 0.43 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.122 . . . . 0.0 109.322 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.717 HG21 ' CZ ' ' A' ' 25' ' ' PHE . 60.9 p -57.61 -69.0 0.18 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.428 1.08 . . . . 0.0 110.369 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 110.26 23.01 6.23 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.482 1.114 . . . . 0.0 111.032 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.452 HD11 ' HD3' ' A' ' 55' ' ' ARG . 14.5 mt -77.89 153.5 5.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.478 0.752 . . . . 0.0 109.31 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -96.64 -55.96 2.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 110.295 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.9 m -62.72 97.03 0.09 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 109.965 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -41.33 -50.33 3.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 111.004 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -45.4 -53.3 8.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.149 . . . . 0.0 109.305 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 10.2 mm100 -48.34 -40.82 26.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 110.292 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.47 ' HB3' ' CD2' ' A' ' 22' ' ' LEU . 1.3 m -66.42 -73.38 0.13 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 108.301 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.4 ' C ' ' O ' ' A' ' 37' ' ' CYS . 18.1 ttp180 -38.64 -35.38 0.19 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 110.273 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 2.3 t-80 -57.32 -64.27 0.94 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 109.62 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.834 HG22 ' HB1' ' A' ' 51' ' ' ALA . 2.3 m -50.01 -41.45 47.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 110.385 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.454 HD21 HG12 ' A' ' 48' ' ' ILE . 7.6 mt -66.54 -69.74 0.29 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.134 . . . . 0.0 109.33 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -38.93 -46.1 1.27 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.448 1.092 . . . . 0.0 110.289 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -50.85 -63.36 1.15 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.125 . . . . 0.0 110.243 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.681 ' ND1' ' HB1' ' A' ' 50' ' ' ALA . 9.5 m-70 -68.96 -9.6 52.98 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 109.6 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.565 ' CB ' ' O ' ' A' ' 44' ' ' HIS . 11.2 t-20 87.02 58.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.302 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 85.0 m95 44.53 60.89 2.65 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 108.023 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ASN . . . . . 0.453 ' O ' ' N ' ' A' ' 50' ' ' ALA . 2.4 m-20 -128.57 78.36 1.84 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.478 1.111 . . . . 0.0 109.303 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.56 ' O ' HG23 ' A' ' 52' ' ' VAL . 43.7 mt -40.43 -48.18 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 0.0 109.347 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -47.4 -44.18 24.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 110.286 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.681 ' HB1' ' ND1' ' A' ' 44' ' ' HIS . . . -85.68 -57.19 3.15 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.476 1.11 . . . . 0.0 109.322 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.834 ' HB1' HG22 ' A' ' 40' ' ' THR . . . -42.95 -43.94 4.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.557 1.161 . . . . 0.0 109.304 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.56 HG23 ' O ' ' A' ' 48' ' ' ILE . 24.9 t -56.78 -51.31 68.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 0.0 109.289 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -59.82 -56.1 26.0 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.452 1.095 . . . . 0.0 110.258 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.411 ' HB2' ' NE2' ' A' ' 44' ' ' HIS . 4.2 t70 -58.15 -24.53 59.24 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.128 . . . . 0.0 109.315 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.654 ' HG2' HG22 ' A' ' 29' ' ' THR . 37.4 tpt85 -77.39 -53.65 7.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 110.316 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -68.28 -51.37 45.72 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.558 1.161 . . . . 0.0 109.314 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 5.4 m120 -43.36 -62.83 0.95 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 109.365 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -51.92 106.12 0.14 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.465 1.103 . . . . 0.0 110.256 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 62.43 150.69 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 110.272 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 60.52 163.36 0.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.559 1.162 . . . . 0.0 110.283 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -123.76 -167.71 12.83 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.485 1.116 . . . . 0.0 111.061 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 88.3 p -75.08 137.86 41.73 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.523 0.778 . . . . 0.0 109.991 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -69.77 157.31 53.51 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.504 1.128 . . . . 0.0 111.007 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -53.9 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.486 1.782 . . . . 0.0 110.993 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.2 m 65.12 127.86 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 109.988 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -72.11 116.96 13.15 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 110.001 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.025 0 O-C-N 124.483 1.115 . . . . 0.0 111.001 -179.974 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.027 0 N-CA-C 110.969 -0.853 . . . . 0.0 110.969 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 43.04 84.91 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.494 0.761 . . . . 0.0 110.021 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -168.97 146.41 3.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.429 1.08 . . . . 0.0 110.031 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -178.5 157.7 21.68 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.533 1.146 . . . . 0.0 110.994 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 53.81 96.35 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 0.755 . . . . 0.0 109.952 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.3 t -172.93 143.04 1.15 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.106 . . . . 0.0 110.011 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 127.95 -119.59 3.19 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.496 1.122 . . . . 0.0 110.964 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.466 ' HB1' ' HD2' ' A' ' 9' ' ' PRO . . . 65.83 163.3 0.12 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.493 0.76 . . . . 0.0 109.28 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.466 ' HD2' ' HB1' ' A' ' 8' ' ' ALA . 18.3 Cg_endo -75.03 72.82 4.54 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.52 1.8 . . . . 0.0 111.015 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -102.36 137.0 41.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 110.31 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -152.76 58.52 0.8 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 110.281 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 3.4 mtt180 -128.08 82.52 2.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.105 . . . . 0.0 110.319 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 58.2 167.25 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.559 1.162 . . . . 0.0 109.289 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 73.2 mt -112.6 158.28 20.17 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 109.315 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.4 ' O ' ' C ' ' A' ' 16' ' ' GLN . 82.5 p -99.26 155.8 17.31 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.502 1.127 . . . . 0.0 110.413 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.4 ' C ' ' O ' ' A' ' 15' ' ' THR . 0.0 OUTLIER -38.97 -61.77 0.71 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 110.277 -179.952 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -45.7 -61.23 1.8 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 110.276 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.565 ' OE1' ' CE3' ' A' ' 46' ' ' TRP . 13.2 mm-40 -46.3 -63.49 0.98 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.45 1.094 . . . . 0.0 110.306 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 3.2 m -41.27 -61.72 0.98 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 110.455 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -40.19 -61.57 0.87 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 110.355 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.448 ' O ' HD11 ' A' ' 48' ' ' ILE . 7.1 mttm -40.64 -51.16 3.03 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.511 1.132 . . . . 0.0 109.292 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.452 ' CD2' ' HB3' ' A' ' 37' ' ' CYS . 1.5 mt -49.71 -59.83 3.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 0.0 109.311 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.439 HD23 ' N ' ' A' ' 23' ' ' LEU . 4.7 mt -40.15 -50.67 2.67 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 109.308 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.58 -67.86 0.22 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.13 . . . . 0.0 110.313 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.755 ' CZ ' HG21 ' A' ' 29' ' ' THR . 55.8 t80 -46.66 -58.59 3.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 111.023 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.452 ' O ' ' N ' ' A' ' 30' ' ' GLY . 1.0 OUTLIER -41.78 -57.49 2.32 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 110.35 179.969 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -55.66 -56.47 20.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 109.319 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 3.6 mt -50.67 -68.55 0.16 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.444 1.09 . . . . 0.0 109.28 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.78 HG22 ' HG2' ' A' ' 55' ' ' ARG . 27.7 p -52.88 -70.93 0.08 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 0.0 110.411 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.452 ' N ' ' O ' ' A' ' 26' ' ' GLN . . . 113.39 9.51 17.26 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.519 1.137 . . . . 0.0 110.974 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.637 HD11 ' HD3' ' A' ' 55' ' ' ARG . 12.3 mt -66.94 128.02 29.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.545 0.791 . . . . 0.0 109.275 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -73.32 -38.83 65.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 110.306 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.2 m -74.55 128.97 36.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 0.0 109.978 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 1.8 tpt -71.52 -50.75 28.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 111.012 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -47.98 -45.14 31.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 109.316 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 37.2 mt-30 -58.11 -37.33 74.36 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.136 . . . . 0.0 110.244 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.452 ' HB3' ' CD2' ' A' ' 22' ' ' LEU . 11.1 m -67.75 -73.68 0.14 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.135 . . . . 0.0 108.295 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 2.8 ttm180 -44.83 -33.06 1.79 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.434 1.084 . . . . 0.0 110.303 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 2.8 t-80 -57.75 -63.83 1.11 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.628 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.852 HG22 ' HB1' ' A' ' 51' ' ' ALA . 1.4 m -52.15 -38.26 57.07 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.521 1.138 . . . . 0.0 110.422 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.522 HD21 ' CG1' ' A' ' 48' ' ' ILE . 8.9 mt -68.26 -68.1 0.42 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.118 . . . . 0.0 109.302 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -39.54 -46.96 1.83 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 110.291 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -50.87 -63.23 1.19 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.471 1.107 . . . . 0.0 110.334 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.542 ' O ' ' CB ' ' A' ' 45' ' ' ASN . 8.2 m-70 -67.63 -9.59 44.49 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.561 1.163 . . . . 0.0 109.592 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.542 ' CB ' ' O ' ' A' ' 44' ' ' HIS . 32.8 t30 86.74 57.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 109.301 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' TRP . . . . . 0.565 ' CE3' ' OE1' ' A' ' 18' ' ' GLN . 85.6 m95 45.35 57.72 4.66 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ASN . . . . . 0.438 ' O ' ' N ' ' A' ' 50' ' ' ALA . 1.2 m120 -124.16 75.19 1.35 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.543 1.152 . . . . 0.0 109.338 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.522 ' CG1' HD21 ' A' ' 41' ' ' LEU . 89.0 mt -39.54 -51.62 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.482 1.114 . . . . 0.0 109.326 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -44.7 -44.9 9.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.455 1.097 . . . . 0.0 110.292 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.54 ' HB1' ' ND1' ' A' ' 44' ' ' HIS . . . -84.49 -57.25 3.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 109.311 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.852 ' HB1' HG22 ' A' ' 40' ' ' THR . . . -41.56 -46.13 3.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.1 . . . . 0.0 109.304 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 7.6 t -56.19 -51.46 62.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 109.293 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -56.82 -58.99 5.72 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.104 . . . . 0.0 110.275 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.406 ' HB2' ' NE2' ' A' ' 44' ' ' HIS . 0.8 OUTLIER -55.52 -30.26 60.37 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 109.277 -179.976 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.78 ' HG2' HG22 ' A' ' 29' ' ' THR . 8.4 tpt180 -70.97 -54.04 12.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 110.253 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.13 -49.43 67.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 109.329 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 4.8 m120 -44.15 -57.12 3.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.564 1.165 . . . . 0.0 109.29 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -56.7 -32.27 65.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 110.283 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.78 -61.16 2.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.125 . . . . 0.0 110.331 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.43 -63.9 1.02 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 110.321 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -159.79 -157.78 8.8 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.558 1.161 . . . . 0.0 110.985 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 46.48 94.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 0.764 . . . . 0.0 109.983 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 142.47 95.83 0.24 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.517 1.136 . . . . 0.0 110.979 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 99.91 1.3 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.486 1.782 . . . . 0.0 111.029 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.3 m -67.09 -58.01 5.72 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.551 1.157 . . . . 0.0 110.031 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 4.2 t 66.07 164.39 0.18 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.48 1.113 . . . . 0.0 110.035 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.97 0 O-C-N 124.479 1.112 . . . . 0.0 111.027 -179.979 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 34.6 t 178.89 102.8 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 0.762 . . . . 0.0 110.016 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -167.07 93.99 0.46 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 110.015 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 52.61 90.83 0.01 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.445 1.091 . . . . 0.0 110.951 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 95.3 p -112.65 106.14 14.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 0.779 . . . . 0.0 109.976 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.3 m 63.35 169.43 0.15 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 110.009 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 92.35 56.79 1.52 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.534 1.146 . . . . 0.0 111.033 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -127.13 92.88 42.95 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.529 0.782 . . . . 0.0 109.232 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 70.92 5.18 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.497 1.788 . . . . 0.0 110.996 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -113.66 133.25 55.42 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 110.319 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 62.4 mt-10 -142.63 91.94 2.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.12 . . . . 0.0 110.302 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.29 159.26 15.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 110.288 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 -41.57 158.91 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 109.333 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.69 HD21 HH21 ' A' ' 38' ' ' ARG . 28.2 mt -105.18 168.45 9.05 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.526 1.141 . . . . 0.0 109.302 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 73.0 p -108.23 152.54 24.45 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 110.435 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 11.1 mp0 -41.3 -58.1 1.93 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 110.328 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -43.06 -61.37 1.32 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 110.336 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 82.1 mt-30 -49.37 -57.58 6.65 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 110.277 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 19.9 m -41.5 -60.78 1.21 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.54 1.15 . . . . 0.0 110.39 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -42.39 -62.06 1.05 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 0.0 110.278 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.447 ' O ' HD11 ' A' ' 48' ' ' ILE . 2.5 mttp -40.46 -50.52 2.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.327 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.481 HD22 ' SD ' ' A' ' 34' ' ' MET . 1.6 mt -49.67 -58.63 4.92 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.524 1.14 . . . . 0.0 109.332 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.444 HD23 ' N ' ' A' ' 23' ' ' LEU . 5.0 mt -41.8 -51.6 4.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 109.285 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.594 ' C ' HD12 ' A' ' 28' ' ' LEU . 0.0 OUTLIER -52.32 -68.5 0.16 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 0.0 110.24 -179.96 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.68 ' CZ ' HG21 ' A' ' 29' ' ' THR . 54.4 t80 -46.14 -57.64 4.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.109 . . . . 0.0 110.949 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.451 ' O ' ' N ' ' A' ' 30' ' ' GLY . 0.8 OUTLIER -42.96 -58.85 2.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 110.306 -179.974 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -55.84 -53.46 56.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.151 . . . . 0.0 109.327 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.594 HD12 ' C ' ' A' ' 24' ' ' GLN . 2.9 mt -51.34 -68.46 0.17 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 109.299 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.68 HG21 ' CZ ' ' A' ' 25' ' ' PHE . 36.1 p -55.41 -71.16 0.09 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.139 . . . . 0.0 110.459 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.451 ' N ' ' O ' ' A' ' 26' ' ' GLN . . . 113.46 17.56 7.54 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.504 1.127 . . . . 0.0 110.999 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.637 HD11 ' HD3' ' A' ' 55' ' ' ARG . 13.9 mt -72.5 128.0 34.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.51 0.771 . . . . 0.0 109.339 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -67.3 -65.74 0.65 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.493 1.121 . . . . 0.0 110.337 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.2 m -56.92 100.71 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 110.052 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' MET . . . . . 0.481 ' SD ' HD22 ' A' ' 22' ' ' LEU . 0.0 OUTLIER -49.96 -36.85 29.6 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 110.982 -179.97 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -51.52 -50.3 60.25 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.501 1.126 . . . . 0.0 109.286 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 19.3 mt-30 -53.2 -45.66 68.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 110.265 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.471 ' HB3' ' CD2' ' A' ' 22' ' ' LEU . 2.0 m -53.25 -73.8 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 108.329 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.69 HH21 HD21 ' A' ' 14' ' ' LEU . 0.3 OUTLIER -39.96 -35.96 0.42 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.49 1.119 . . . . 0.0 110.32 -180.0 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 4.5 t-160 -54.41 -70.62 0.09 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.445 1.091 . . . . 0.0 109.614 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.877 HG22 ' HB1' ' A' ' 51' ' ' ALA . 1.4 m -44.95 -43.92 9.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 110.392 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.532 HD21 HG12 ' A' ' 48' ' ' ILE . 12.8 mt -62.61 -69.67 0.25 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.544 1.153 . . . . 0.0 109.298 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -38.73 -48.11 1.45 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.119 . . . . 0.0 110.321 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 5.6 mt-30 -50.97 -63.1 1.24 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 110.313 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.815 ' CE1' ' HB1' ' A' ' 50' ' ' ALA . 2.2 m-70 -67.79 -9.45 44.29 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.472 1.107 . . . . 0.0 109.628 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.527 ' CB ' ' O ' ' A' ' 44' ' ' HIS . 4.9 m-20 85.51 58.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.551 1.157 . . . . 0.0 109.319 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 84.7 m95 43.89 59.73 3.02 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ASN . . . . . 0.446 ' O ' ' N ' ' A' ' 50' ' ' ALA . 1.9 m-20 -126.56 75.63 1.56 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 109.326 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.532 HG12 HD21 ' A' ' 41' ' ' LEU . 70.6 mt -39.73 -51.42 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 109.289 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -44.51 -44.21 8.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 0.0 110.288 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.815 ' HB1' ' CE1' ' A' ' 44' ' ' HIS . . . -85.58 -56.78 3.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.338 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.877 ' HB1' HG22 ' A' ' 40' ' ' THR . . . -41.87 -44.95 3.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 109.275 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.404 HG23 HG23 ' A' ' 48' ' ' ILE . 9.5 t -57.76 -53.81 39.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.51 1.132 . . . . 0.0 109.249 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.425 ' O ' ' N ' ' A' ' 57' ' ' ASN . 1.0 OUTLIER -57.58 -53.59 56.5 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.144 . . . . 0.0 110.296 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.413 ' HB2' ' NE2' ' A' ' 44' ' ' HIS . 40.0 t0 -60.37 -24.86 65.42 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.527 1.142 . . . . 0.0 109.259 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.66 ' HG2' HG22 ' A' ' 29' ' ' THR . 38.1 tpt85 -78.52 -57.55 3.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 110.279 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -65.72 -27.71 68.52 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.461 1.101 . . . . 0.0 109.27 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.425 ' N ' ' O ' ' A' ' 53' ' ' GLN . 83.3 m-20 -69.45 -54.82 12.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.125 . . . . 0.0 109.276 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 41.12 40.32 1.08 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.513 1.133 . . . . 0.0 110.354 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 4.7 mm100 -43.16 159.98 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.421 1.076 . . . . 0.0 110.323 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 62.13 134.95 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.529 1.143 . . . . 0.0 110.28 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -60.09 -170.31 0.48 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.504 1.127 . . . . 0.0 110.998 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.57 157.05 18.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.542 0.789 . . . . 0.0 109.98 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -128.38 178.12 17.33 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.492 1.12 . . . . 0.0 110.975 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 102.85 1.64 Allowed 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.508 1.794 . . . . 0.0 111.04 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 33.9 m -76.1 97.81 4.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 110.015 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -132.35 -58.36 0.94 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.0 110.012 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 O-C-N 124.508 1.13 . . . . 0.0 111.021 -179.983 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.019 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -121.08 149.76 42.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 0.751 . . . . 0.0 109.955 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.2 m -100.71 99.72 10.31 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 109.952 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -90.9 -76.82 1.33 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.498 1.124 . . . . 0.0 110.999 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 66.9 m 54.17 97.28 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.54 0.788 . . . . 0.0 110.004 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.6 t -145.68 -55.84 0.3 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.514 1.134 . . . . 0.0 109.987 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -82.67 145.15 23.59 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.459 1.1 . . . . 0.0 110.966 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 62.72 154.75 0.12 Allowed Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.472 0.748 . . . . 0.0 109.323 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 61.99 5.79 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.472 1.775 . . . . 0.0 111.03 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 58.6 mt-10 64.54 171.47 0.19 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.1 . . . . 0.0 110.307 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -138.68 118.67 13.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.125 . . . . 0.0 110.349 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -62.17 115.39 4.09 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.456 1.097 . . . . 0.0 110.297 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -105.64 150.21 25.63 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 109.341 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 18.8 mt -59.69 173.36 0.57 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.45 1.094 . . . . 0.0 109.281 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 71.1 p -100.74 157.91 16.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 110.384 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 8.7 mt-30 -46.27 -59.74 2.74 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 110.275 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -43.81 -62.38 1.13 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.516 1.135 . . . . 0.0 110.254 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 35.7 mt-30 -50.82 -60.49 3.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 110.29 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 11.8 m -38.88 -57.53 1.22 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.49 1.119 . . . . 0.0 110.4 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -43.61 -59.2 2.29 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.476 1.11 . . . . 0.0 110.262 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.8 mttt -42.51 -48.86 5.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 109.289 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.728 HD13 ' CE ' ' A' ' 34' ' ' MET . 1.7 mt -51.58 -60.16 3.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.281 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.451 HD23 ' N ' ' A' ' 23' ' ' LEU . 4.3 mt -40.29 -49.41 2.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 109.282 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -53.69 -67.37 0.26 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.141 . . . . 0.0 110.355 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.639 ' HZ ' HG21 ' A' ' 40' ' ' THR . 57.5 t80 -49.89 -44.5 50.07 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 0.0 110.983 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -55.31 -43.85 75.25 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.465 1.103 . . . . 0.0 110.287 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -67.61 -51.79 46.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 109.303 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.2 mt -53.1 -73.24 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.5 1.125 . . . . 0.0 109.279 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.631 HG21 ' CZ ' ' A' ' 25' ' ' PHE . 61.3 p -51.62 -68.49 0.17 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.486 1.116 . . . . 0.0 110.371 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.414 ' N ' ' OG1' ' A' ' 29' ' ' THR . . . 111.46 13.06 13.62 Favored Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.522 1.139 . . . . 0.0 111.015 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.543 HD11 ' HD3' ' A' ' 55' ' ' ARG . 12.3 mt -68.75 125.45 26.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.548 0.793 . . . . 0.0 109.268 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -72.08 -40.44 68.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 110.334 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -73.61 105.14 4.81 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 110.02 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' MET . . . . . 0.728 ' CE ' HD13 ' A' ' 22' ' ' LEU . 0.0 OUTLIER -52.56 -49.32 65.15 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.525 1.141 . . . . 0.0 111.038 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 26.5 m-20 -46.74 -51.33 16.46 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.537 1.148 . . . . 0.0 109.274 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 15.7 mt-30 -51.03 -45.69 61.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 110.257 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.466 ' HB3' ' CD2' ' A' ' 22' ' ' LEU . 1.7 m -57.2 -73.77 0.06 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.128 . . . . 0.0 108.232 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 6.4 ttt180 -38.49 -40.5 0.57 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 110.262 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 10.5 t-160 -50.15 -67.02 0.29 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.496 1.123 . . . . 0.0 109.56 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.91 HG22 ' HB1' ' A' ' 51' ' ' ALA . 1.5 m -48.42 -47.62 37.74 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.465 1.103 . . . . 0.0 110.383 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.673 HD21 ' CG1' ' A' ' 48' ' ' ILE . 9.8 mt -58.43 -69.15 0.2 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.561 1.163 . . . . 0.0 109.332 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -38.59 -47.07 1.27 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.13 . . . . 0.0 110.319 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -50.98 -63.1 1.24 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.545 1.153 . . . . 0.0 110.275 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.7 ' CE1' ' HB1' ' A' ' 50' ' ' ALA . 4.6 m-70 -67.67 -9.67 45.47 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 0.0 109.566 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.55 ' CB ' ' O ' ' A' ' 44' ' ' HIS . 33.7 t30 87.11 56.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 0.0 109.326 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 86.2 m95 46.52 56.84 5.99 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ASN . . . . . 0.442 ' O ' ' N ' ' A' ' 50' ' ' ALA . 1.4 m120 -124.81 75.15 1.4 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 0.0 109.269 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.673 ' CG1' HD21 ' A' ' 41' ' ' LEU . 91.7 mt -40.65 -49.45 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.516 1.135 . . . . 0.0 109.308 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -45.75 -42.85 12.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.443 1.089 . . . . 0.0 110.278 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.7 ' HB1' ' CE1' ' A' ' 44' ' ' HIS . . . -87.62 -56.9 3.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.448 1.093 . . . . 0.0 109.322 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.91 ' HB1' HG22 ' A' ' 40' ' ' THR . . . -42.85 -43.36 4.01 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.499 1.124 . . . . 0.0 109.285 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.476 HG23 HG23 ' A' ' 48' ' ' ILE . 16.9 t -57.47 -53.68 41.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.275 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 4.0 mm-40 -56.25 -53.88 52.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.147 . . . . 0.0 110.327 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.41 ' HB2' ' NE2' ' A' ' 44' ' ' HIS . 65.0 t0 -59.31 -30.66 68.51 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 109.29 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.627 ' HG2' HG22 ' A' ' 29' ' ' THR . 8.0 tpt180 -70.39 -49.52 48.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 110.329 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.449 ' O ' ' N ' ' A' ' 59' ' ' GLN . 0.4 OUTLIER -70.95 -51.79 23.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 109.335 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -42.77 -62.57 0.97 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.487 1.117 . . . . 0.0 109.319 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 5.4 tm-20 -49.39 -29.93 7.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 0.0 110.283 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.449 ' N ' ' O ' ' A' ' 56' ' ' LEU . 0.0 OUTLIER 55.74 165.87 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.47 1.106 . . . . 0.0 110.309 -180.0 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.412 ' HG3' ' NH2' ' A' ' 55' ' ' ARG . 1.6 mt-10 -74.66 98.31 3.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 110.316 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -80.98 69.48 3.24 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.449 1.093 . . . . 0.0 111.013 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -85.68 -58.09 2.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 0.76 . . . . 0.0 109.972 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 167.31 91.09 0.08 OUTLIER Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.47 1.106 . . . . 0.0 111.015 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 169.39 22.71 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.464 1.771 . . . . 0.0 111.003 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -79.11 161.27 26.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 110.023 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 1.9 m 60.84 105.16 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 109.995 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.962 0 O-C-N 124.484 1.115 . . . . 0.0 110.986 179.947 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.018 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.4 m -85.71 98.56 10.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 0.753 . . . . 0.0 110.036 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.1 m -175.95 131.43 0.25 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.13 . . . . 0.0 109.961 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -126.7 111.57 1.42 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.463 1.102 . . . . 0.0 110.965 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 89.8 p -150.02 132.15 15.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 0.755 . . . . 0.0 110.01 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 91.1 p -158.93 141.14 13.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 0.0 110.038 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -179.7 73.29 0.07 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.451 1.094 . . . . 0.0 111.046 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -113.72 94.71 34.19 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.452 0.736 . . . . 0.0 109.307 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 56.89 4.4 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.473 1.775 . . . . 0.0 111.026 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 58.48 171.4 0.06 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.123 . . . . 0.0 110.279 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 51.1 85.73 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 0.0 110.293 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -152.17 122.66 7.31 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.514 1.134 . . . . 0.0 110.285 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -83.73 140.89 31.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.317 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 28.6 mt -65.18 171.68 3.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.576 1.172 . . . . 0.0 109.274 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 10.6 p -112.94 157.44 21.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 110.424 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -40.81 -60.97 1.04 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 110.276 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -45.41 -61.71 1.56 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.524 1.14 . . . . 0.0 110.339 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.507 ' OE1' ' CD2' ' A' ' 46' ' ' TRP . 10.6 mm100 -47.8 -64.06 0.89 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.51 1.131 . . . . 0.0 110.268 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 3.0 m -41.8 -60.53 1.34 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 110.404 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -39.83 -60.58 0.98 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 110.287 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.7 mttt -42.08 -54.36 3.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.456 1.097 . . . . 0.0 109.276 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.432 ' CD2' ' HB3' ' A' ' 37' ' ' CYS . 1.2 mt -46.09 -56.67 5.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 109.234 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.437 HD23 ' N ' ' A' ' 23' ' ' LEU . 5.5 mt -42.76 -58.76 2.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.32 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.411 ' C ' HD12 ' A' ' 28' ' ' LEU . 0.0 OUTLIER -46.67 -67.25 0.3 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 110.293 179.958 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.705 ' CZ ' HG21 ' A' ' 29' ' ' THR . 81.1 t80 -45.78 -58.52 3.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 111.002 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.424 ' O ' ' N ' ' A' ' 30' ' ' GLY . 1.0 OUTLIER -43.97 -59.52 2.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 110.311 179.964 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -50.65 -46.97 58.69 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.517 1.135 . . . . 0.0 109.263 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.411 HD12 ' C ' ' A' ' 24' ' ' GLN . 3.4 mt -58.49 -74.83 0.06 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.542 1.151 . . . . 0.0 109.299 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.705 HG21 ' CZ ' ' A' ' 25' ' ' PHE . 71.9 p -48.18 -66.09 0.46 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.477 1.11 . . . . 0.0 110.413 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.424 ' N ' ' O ' ' A' ' 26' ' ' GLN . . . 110.15 5.44 28.62 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.471 1.107 . . . . 0.0 110.975 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.434 HD11 ' HD3' ' A' ' 55' ' ' ARG . 10.2 mt -55.4 155.5 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.537 0.786 . . . . 0.0 109.316 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -98.74 -54.94 2.87 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.566 1.166 . . . . 0.0 110.292 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -67.38 104.64 1.57 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.496 1.123 . . . . 0.0 110.033 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' MET . . . . . 0.403 ' HE2' HD13 ' A' ' 22' ' ' LEU . 0.0 OUTLIER -47.29 -42.51 21.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 111.014 -179.967 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -47.39 -57.76 4.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.107 . . . . 0.0 109.327 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -45.99 -46.04 16.14 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.464 1.102 . . . . 0.0 110.328 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.432 ' HB3' ' CD2' ' A' ' 22' ' ' LEU . 8.4 m -58.96 -73.81 0.08 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.143 . . . . 0.0 108.319 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.419 ' HG3' ' CH2' ' A' ' 46' ' ' TRP . 10.2 ttp-105 -43.02 -33.4 0.81 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 110.33 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 13.3 t-160 -61.89 -60.43 3.64 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.499 1.124 . . . . 0.0 109.631 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.878 HG22 ' HB1' ' A' ' 51' ' ' ALA . 1.0 OUTLIER -55.28 -18.11 5.74 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 110.427 179.946 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.45 ' O ' ' N ' ' A' ' 44' ' ' HIS . 9.3 mt -90.82 -67.83 0.83 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.118 . . . . 0.0 109.316 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -39.13 -43.67 1.08 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 110.318 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' GLN . . . . . 0.511 ' CG ' ' N ' ' A' ' 44' ' ' HIS . 1.6 pt20 -55.79 -47.02 77.83 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.448 1.093 . . . . 0.0 110.266 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.819 ' ND1' ' HB1' ' A' ' 50' ' ' ALA . 71.8 m-70 -83.99 -9.2 58.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.14 . . . . 0.0 109.564 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.544 ' CB ' ' O ' ' A' ' 44' ' ' HIS . 4.2 m120 85.54 46.25 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 109.26 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' TRP . . . . . 0.507 ' CD2' ' OE1' ' A' ' 18' ' ' GLN . 87.1 m95 56.78 56.59 5.34 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.538 1.149 . . . . 0.0 107.998 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ASN . . . . . 0.449 ' O ' ' N ' ' A' ' 50' ' ' ALA . 2.3 m-20 -121.26 79.79 1.57 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.122 . . . . 0.0 109.312 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.526 HG23 ' CG2' ' A' ' 52' ' ' VAL . 32.7 mt -40.68 -47.18 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 109.301 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -49.66 -44.61 47.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.142 . . . . 0.0 110.272 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.819 ' HB1' ' ND1' ' A' ' 44' ' ' HIS . . . -82.59 -55.46 4.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.292 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.878 ' HB1' HG22 ' A' ' 40' ' ' THR . . . -45.69 -51.53 12.27 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.465 1.103 . . . . 0.0 109.309 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.526 ' CG2' HG23 ' A' ' 48' ' ' ILE . 39.4 t -51.05 -46.81 31.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 109.288 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.434 ' O ' ' N ' ' A' ' 57' ' ' ASN . 6.0 mm100 -60.36 -65.34 0.7 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 110.274 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.414 ' HB2' ' NE2' ' A' ' 44' ' ' HIS . 5.0 t70 -50.15 -27.88 6.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 0.0 109.287 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.625 ' HG2' HG22 ' A' ' 29' ' ' THR . 38.0 tpt85 -73.03 -56.58 4.93 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.482 1.114 . . . . 0.0 110.269 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -67.39 -57.32 6.8 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.473 1.108 . . . . 0.0 109.292 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.434 ' N ' ' O ' ' A' ' 53' ' ' GLN . 4.8 m120 -42.12 -54.21 3.69 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 109.301 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -69.95 100.11 1.53 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.127 . . . . 0.0 110.279 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 7.2 mt-30 -145.34 118.35 8.81 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.491 1.12 . . . . 0.0 110.284 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -89.43 -58.29 2.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.557 1.161 . . . . 0.0 110.291 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 173.55 -164.05 35.56 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.46 1.1 . . . . 0.0 111.051 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 58.3 p 41.55 81.12 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.448 0.734 . . . . 0.0 110.01 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -153.57 157.56 27.48 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.497 1.123 . . . . 0.0 110.994 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -45.74 0.27 Allowed 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.499 1.789 . . . . 0.0 111.014 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 4.5 t -50.15 161.29 0.29 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 110.041 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 8.8 p -147.25 -57.21 0.25 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 0.0 109.944 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 O-C-N 124.481 1.113 . . . . 0.0 111.015 -179.949 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -78.31 133.07 37.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 0.759 . . . . 0.0 110.02 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 58.38 165.45 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.55 1.156 . . . . 0.0 110.044 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -89.38 86.82 1.43 Allowed Glycine 0 CA--C 1.531 1.07 0 O-C-N 124.517 1.136 . . . . 0.0 110.974 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -165.1 112.52 0.99 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.534 0.784 . . . . 0.0 109.982 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.9 t -165.37 120.36 1.3 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.481 1.113 . . . . 0.0 110.008 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -154.29 92.77 0.13 Allowed Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.546 1.153 . . . . 0.0 111.015 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -172.77 156.1 3.21 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.461 0.742 . . . . 0.0 109.315 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -90.3 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.487 1.782 . . . . 0.0 110.954 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 58.11 169.14 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.529 1.143 . . . . 0.0 110.322 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -172.41 131.13 0.58 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 110.31 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -154.13 97.17 2.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 110.297 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 50.8 m-20 59.05 164.14 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.123 . . . . 0.0 109.348 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 12.6 mt -45.94 169.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.138 . . . . 0.0 109.299 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 7.1 p -97.41 151.94 19.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.424 1.077 . . . . 0.0 110.416 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 8.2 mt-30 -41.73 -59.68 1.59 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 110.294 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -41.58 -62.24 0.92 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.451 1.094 . . . . 0.0 110.29 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 59.7 mt-30 -46.92 -60.34 2.5 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.511 1.132 . . . . 0.0 110.262 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.9 m -41.75 -55.11 3.11 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.466 1.104 . . . . 0.0 110.38 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -47.97 -60.81 2.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 110.309 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.599 ' O ' HD11 ' A' ' 48' ' ' ILE . 2.6 mttt -41.53 -46.65 3.59 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.531 1.145 . . . . 0.0 109.317 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.547 HD22 ' HE2' ' A' ' 34' ' ' MET . 1.5 mt -52.68 -59.71 4.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 109.276 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.443 HD23 ' N ' ' A' ' 23' ' ' LEU . 5.0 mt -40.68 -52.41 2.93 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 109.336 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.489 ' C ' HD12 ' A' ' 28' ' ' LEU . 4.9 mm-40 -52.61 -68.19 0.19 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 110.305 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.54 ' CZ ' HG21 ' A' ' 29' ' ' THR . 37.2 t80 -45.78 -57.48 4.25 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.47 1.106 . . . . 0.0 111.022 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.452 ' O ' ' N ' ' A' ' 30' ' ' GLY . 1.0 OUTLIER -43.45 -58.64 2.5 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.113 . . . . 0.0 110.315 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -55.06 -56.55 18.52 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 109.28 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.489 HD12 ' C ' ' A' ' 24' ' ' GLN . 3.3 mt -48.02 -71.78 0.06 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.442 1.089 . . . . 0.0 109.282 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.54 HG21 ' CZ ' ' A' ' 25' ' ' PHE . 24.1 p -53.45 -70.64 0.09 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.459 1.099 . . . . 0.0 110.404 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.452 ' N ' ' O ' ' A' ' 26' ' ' GLN . . . 115.11 18.2 6.42 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.528 1.142 . . . . 0.0 111.017 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.843 HD11 ' NE ' ' A' ' 55' ' ' ARG . 14.4 mt -69.91 147.23 11.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.492 0.76 . . . . 0.0 109.315 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 26.5 mm-40 -91.04 -58.34 2.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 110.252 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.75 103.78 0.47 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.49 1.119 . . . . 0.0 110.026 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' MET . . . . . 0.547 ' HE2' HD22 ' A' ' 22' ' ' LEU . 2.1 tpt -44.89 -45.53 10.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.55 1.156 . . . . 0.0 110.992 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -50.92 -55.41 17.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.446 1.091 . . . . 0.0 109.319 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 9.6 mm100 -44.96 -37.57 4.09 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.524 1.14 . . . . 0.0 110.278 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.463 ' HB3' ' CD2' ' A' ' 22' ' ' LEU . 1.1 m -69.36 -73.65 0.15 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.533 1.146 . . . . 0.0 108.294 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.503 ' HG3' ' CZ2' ' A' ' 46' ' ' TRP . 27.5 ttp180 -40.3 -30.21 0.1 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.459 1.099 . . . . 0.0 110.278 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.412 ' N ' ' C ' ' A' ' 37' ' ' CYS . 8.6 t-160 -59.9 -68.28 0.3 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.454 1.096 . . . . 0.0 109.572 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.808 HG22 ' HB1' ' A' ' 51' ' ' ALA . 1.2 m -49.78 -32.69 14.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 110.359 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.406 ' O ' ' N ' ' A' ' 45' ' ' ASN . 12.4 mt -72.84 -68.1 0.51 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 109.293 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -39.07 -48.33 1.64 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.53 1.144 . . . . 0.0 110.307 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -50.76 -63.64 1.06 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.512 1.133 . . . . 0.0 110.291 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.765 ' CE1' ' HB1' ' A' ' 50' ' ' ALA . 2.6 m-70 -67.25 -9.89 45.11 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.537 1.148 . . . . 0.0 109.576 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.526 ' CB ' ' O ' ' A' ' 44' ' ' HIS . 7.3 m-20 85.25 58.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 109.294 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' TRP . . . . . 0.503 ' CZ2' ' HG3' ' A' ' 38' ' ' ARG . 81.5 m95 43.62 62.32 1.94 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 108.016 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ASN . . . . . 0.446 ' O ' ' N ' ' A' ' 50' ' ' ALA . 1.2 m120 -127.74 76.76 1.7 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.511 1.132 . . . . 0.0 109.297 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.599 HD11 ' O ' ' A' ' 21' ' ' LYS . 57.6 mt -40.08 -49.68 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.548 1.155 . . . . 0.0 109.345 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -46.37 -44.57 17.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.125 . . . . 0.0 110.264 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.765 ' HB1' ' CE1' ' A' ' 44' ' ' HIS . . . -84.69 -57.64 3.04 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 109.284 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.808 ' HB1' HG22 ' A' ' 40' ' ' THR . . . -40.77 -43.59 2.03 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.561 1.163 . . . . 0.0 109.314 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 9.4 t -62.69 -48.97 85.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.538 1.149 . . . . 0.0 109.29 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.448 ' O ' ' N ' ' A' ' 57' ' ' ASN . 1.0 OUTLIER -63.8 -68.24 0.36 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.103 . . . . 0.0 110.282 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.444 ' CG ' ' NE2' ' A' ' 44' ' ' HIS . 0.5 OUTLIER -42.14 -35.38 0.92 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.271 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.843 ' NE ' HD11 ' A' ' 31' ' ' ILE . 1.6 tpt85 -66.34 -61.0 2.24 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 0.0 110.318 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.406 ' O ' ' C ' ' A' ' 57' ' ' ASN . 0.4 OUTLIER -64.35 -59.69 4.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 0.0 109.303 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.448 ' N ' ' O ' ' A' ' 53' ' ' GLN . 2.6 m120 -39.83 -64.67 0.46 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.58 1.175 . . . . 0.0 109.329 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -75.61 80.89 2.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.543 1.152 . . . . 0.0 110.326 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 9.6 pm0 -47.74 143.74 3.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.564 1.165 . . . . 0.0 110.287 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -112.4 98.85 7.56 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.496 1.123 . . . . 0.0 110.292 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 48.45 -120.85 6.96 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.534 1.146 . . . . 0.0 111.015 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -87.7 125.93 34.69 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 0.784 . . . . 0.0 110.068 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -144.99 77.9 0.26 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.488 1.118 . . . . 0.0 110.999 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 97.8 1.11 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.491 1.785 . . . . 0.0 111.027 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -160.55 81.43 0.67 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.128 . . . . 0.0 109.974 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -142.55 136.0 28.83 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.542 1.151 . . . . 0.0 109.99 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.991 0 O-C-N 124.529 1.143 . . . . 0.0 111.008 179.99 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.022 0 N-CA-C 111.029 -0.828 . . . . 0.0 111.029 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.5 t -148.73 148.37 29.93 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 0.778 . . . . 0.0 109.957 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 61.73 166.15 0.1 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.13 . . . . 0.0 109.999 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 129.13 83.79 0.36 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.519 1.137 . . . . 0.0 110.974 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -175.44 147.21 0.84 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.457 0.739 . . . . 0.0 110.013 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.4 m -129.25 159.93 34.58 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.471 1.107 . . . . 0.0 109.993 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -179.1 72.57 0.07 OUTLIER Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.524 1.14 . . . . 0.0 110.977 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -146.21 92.76 5.2 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.518 0.775 . . . . 0.0 109.274 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 70.65 5.21 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.51 1.794 . . . . 0.0 110.971 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -81.36 123.16 28.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.442 1.089 . . . . 0.0 110.316 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -85.29 74.57 10.39 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.512 1.132 . . . . 0.0 110.288 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.2 mmp_? -144.73 144.16 31.06 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 110.273 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -44.39 162.83 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 109.315 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.475 HD21 HH21 ' A' ' 38' ' ' ARG . 13.6 mt -73.85 175.15 7.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 109.279 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 10.4 p -96.87 151.73 19.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.451 1.094 . . . . 0.0 110.449 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -39.77 -61.5 0.83 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 110.277 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -44.07 -64.98 0.57 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 110.296 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 77.2 mt-30 -48.43 -61.01 2.23 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.556 1.16 . . . . 0.0 110.285 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 15.5 m -41.77 -60.87 1.23 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.144 . . . . 0.0 110.362 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -43.81 -61.32 1.46 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 0.0 110.311 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 10.3 mttp -40.5 -57.03 1.92 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.29 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.472 HD22 ' HE3' ' A' ' 34' ' ' MET . 1.5 mt -43.6 -56.86 3.46 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.465 1.103 . . . . 0.0 109.306 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.433 HD23 ' N ' ' A' ' 23' ' ' LEU . 5.7 mt -42.54 -61.46 1.22 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 109.291 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.435 ' C ' HD12 ' A' ' 28' ' ' LEU . 0.0 OUTLIER -46.1 -62.73 1.21 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 110.266 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.552 ' CZ ' HG21 ' A' ' 29' ' ' THR . 77.6 t80 -51.98 -43.98 63.82 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.491 1.119 . . . . 0.0 111.013 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 7.7 tt0 -59.38 -40.52 86.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.148 . . . . 0.0 110.281 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -71.17 -41.56 70.23 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.555 1.159 . . . . 0.0 109.315 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.435 HD12 ' C ' ' A' ' 24' ' ' GLN . 2.7 mt -62.36 -64.46 0.92 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 109.272 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.657 HG22 ' HG2' ' A' ' 55' ' ' ARG . 41.5 p -58.37 -73.77 0.07 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.443 1.089 . . . . 0.0 110.379 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 116.46 14.37 7.6 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.499 1.124 . . . . 0.0 111.035 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.455 HD11 ' HD3' ' A' ' 55' ' ' ARG . 11.0 mt -67.31 157.03 6.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.491 0.759 . . . . 0.0 109.275 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -100.27 -48.77 4.48 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 0.0 110.289 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 18.3 m -72.27 103.56 3.42 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 110.009 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' MET . . . . . 0.472 ' HE3' HD22 ' A' ' 22' ' ' LEU . 0.1 OUTLIER -46.77 -45.39 19.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 110.987 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -45.47 -59.36 2.75 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.464 1.102 . . . . 0.0 109.338 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 13.1 mm100 -43.44 -43.14 5.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 110.25 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.461 ' HB3' ' CD2' ' A' ' 22' ' ' LEU . 3.0 m -66.72 -73.8 0.13 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.562 1.164 . . . . 0.0 108.321 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.475 HH21 HD21 ' A' ' 14' ' ' LEU . 0.1 OUTLIER -40.12 -32.55 0.18 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.142 . . . . 0.0 110.283 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 10.4 t-160 -64.72 -60.1 3.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.574 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.855 HG22 ' HB1' ' A' ' 51' ' ' ALA . 1.0 OUTLIER -56.22 -17.92 8.83 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.458 1.099 . . . . 0.0 110.396 -179.973 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.456 ' O ' ' N ' ' A' ' 44' ' ' HIS . 8.5 mt -91.23 -66.15 0.95 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.273 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -41.97 -42.48 2.83 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 110.288 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' GLN . . . . . 0.415 ' HG3' ' N ' ' A' ' 44' ' ' HIS . 1.9 pt20 -57.13 -41.57 79.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 110.292 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.8 ' ND1' ' HB1' ' A' ' 50' ' ' ALA . 62.3 m-70 -88.07 -9.5 53.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.655 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.577 ' CB ' ' O ' ' A' ' 44' ' ' HIS . 21.9 t30 88.18 36.99 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.494 1.121 . . . . 0.0 109.324 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 85.7 m95 65.08 52.51 1.5 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 108.024 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ASN . . . . . 0.447 ' O ' ' N ' ' A' ' 50' ' ' ALA . 0.8 OUTLIER -116.8 81.12 1.58 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.281 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.573 ' O ' HG23 ' A' ' 52' ' ' VAL . 35.7 mt -41.66 -46.03 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.438 1.086 . . . . 0.0 109.316 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -50.12 -43.17 51.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 110.328 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.8 ' HB1' ' ND1' ' A' ' 44' ' ' HIS . . . -84.57 -54.94 4.4 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 109.262 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.855 ' HB1' HG22 ' A' ' 40' ' ' THR . . . -46.4 -50.04 17.18 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 109.341 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.825 ' O ' HD12 ' A' ' 56' ' ' LEU . 41.0 t -51.41 -38.69 20.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 109.302 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.409 ' HG3' ' N ' ' A' ' 54' ' ' ASP . 1.6 tp-100 -71.55 -61.07 1.91 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 110.278 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.418 ' HB2' ' NE2' ' A' ' 44' ' ' HIS . 0.1 OUTLIER -52.54 -21.52 3.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.311 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.657 ' HG2' HG22 ' A' ' 29' ' ' THR . 4.3 tpt180 -78.61 -46.73 18.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 110.306 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.825 HD12 ' O ' ' A' ' 52' ' ' VAL . 0.4 OUTLIER -70.61 -36.88 73.74 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.555 1.16 . . . . 0.0 109.324 179.963 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -43.45 -60.17 1.84 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 0.0 109.31 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -92.8 73.15 4.92 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.538 1.149 . . . . 0.0 110.332 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 29.8 pt20 -90.43 164.06 14.43 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.443 1.09 . . . . 0.0 110.329 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.1 pm0 -105.38 153.59 21.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 110.352 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -163.06 178.13 38.86 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.502 1.126 . . . . 0.0 110.997 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -137.47 -55.24 0.69 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.483 0.754 . . . . 0.0 109.997 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 164.47 76.81 0.03 OUTLIER Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.464 1.103 . . . . 0.0 110.997 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.05 110.04 3.04 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.552 1.817 . . . . 0.0 111.012 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 29.5 m -146.81 148.24 31.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.992 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 32.6 t 57.29 97.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.553 1.158 . . . . 0.0 109.986 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.983 0 O-C-N 124.47 1.106 . . . . 0.0 111.003 179.992 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.5 t -76.32 91.95 3.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 0.772 . . . . 0.0 110.011 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -165.33 147.11 7.58 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.512 1.132 . . . . 0.0 109.991 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -90.54 62.94 3.03 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.501 1.126 . . . . 0.0 111.009 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -160.45 115.85 2.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 0.757 . . . . 0.0 109.963 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -177.06 140.16 0.29 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 110.014 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 53.62 -142.95 28.8 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.482 1.114 . . . . 0.0 110.991 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.674 ' HB1' ' HD2' ' A' ' 9' ' ' PRO . . . -94.9 170.27 8.23 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.456 0.739 . . . . 0.0 109.338 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.674 ' HD2' ' HB1' ' A' ' 8' ' ' ALA . 18.2 Cg_endo -74.99 73.59 4.27 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.526 1.803 . . . . 0.0 110.975 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -106.01 1.43 26.49 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.13 . . . . 0.0 110.32 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 58.17 77.45 0.29 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.467 1.104 . . . . 0.0 110.256 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -77.6 144.64 37.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 0.0 110.283 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -61.0 159.53 11.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 109.262 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 38.2 mt -54.55 169.84 0.18 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.518 1.136 . . . . 0.0 109.313 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 15.3 p -108.46 156.95 18.88 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.463 1.102 . . . . 0.0 110.394 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 18.3 mt-30 -44.5 -53.25 7.17 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 0.0 110.339 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -47.98 -60.97 2.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 110.309 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 29.1 mt-30 -49.09 -57.67 6.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 110.296 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 19.2 m -40.93 -60.5 1.17 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 110.395 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -45.88 -59.27 2.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.104 . . . . 0.0 110.323 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.628 ' O ' HD11 ' A' ' 48' ' ' ILE . 1.0 OUTLIER -42.11 -46.12 4.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.546 1.154 . . . . 0.0 109.326 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.503 ' HA ' HD23 ' A' ' 22' ' ' LEU . 0.9 OUTLIER -53.56 -59.9 4.0 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.477 1.111 . . . . 0.0 109.32 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.448 HD23 ' N ' ' A' ' 23' ' ' LEU . 4.8 mt -40.83 -49.1 3.16 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.128 . . . . 0.0 109.308 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.5 ' OE1' HD11 ' A' ' 28' ' ' LEU . 0.0 OUTLIER -54.69 -67.75 0.24 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 110.262 -179.973 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.626 ' CZ ' HG21 ' A' ' 29' ' ' THR . 26.8 t80 -45.95 -57.65 4.22 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.142 . . . . 0.0 110.965 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -46.89 -59.39 3.11 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 110.296 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -52.54 -47.26 66.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.57 1.169 . . . . 0.0 109.349 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.5 HD11 ' OE1' ' A' ' 24' ' ' GLN . 4.8 mt -61.69 -78.07 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.564 1.165 . . . . 0.0 109.311 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.626 HG21 ' CZ ' ' A' ' 25' ' ' PHE . 81.9 p -43.09 -61.45 1.31 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 110.383 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 105.4 7.51 37.16 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.472 1.108 . . . . 0.0 110.994 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.801 HD11 ' NE ' ' A' ' 55' ' ' ARG . 22.0 mt -58.02 129.94 20.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.535 0.785 . . . . 0.0 109.292 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.414 ' HG3' ' N ' ' A' ' 33' ' ' SER . 8.1 pt-20 -77.81 -31.05 51.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 110.304 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.446 ' O ' HG22 ' A' ' 31' ' ' ILE . 0.4 OUTLIER -85.58 115.17 23.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.557 1.161 . . . . 0.0 110.003 -179.976 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 34' ' ' MET . . . . . 0.481 ' HE2' HD13 ' A' ' 22' ' ' LEU . 2.4 tpt -58.25 -53.56 56.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 110.995 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -46.78 -50.77 17.72 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 109.297 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 10.3 mm100 -49.97 -44.53 50.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.132 . . . . 0.0 110.287 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.477 ' HB3' ' CD2' ' A' ' 22' ' ' LEU . 1.2 m -58.64 -73.64 0.08 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.104 . . . . 0.0 108.26 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.408 ' HG3' ' CH2' ' A' ' 46' ' ' TRP . 32.4 ttp180 -40.91 -38.41 0.95 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 110.332 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 9.8 t-160 -50.78 -71.08 0.07 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 109.579 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.975 HG22 ' HB1' ' A' ' 51' ' ' ALA . 1.2 m -44.75 -44.63 9.41 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.536 1.147 . . . . 0.0 110.38 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.544 HD21 ' CG1' ' A' ' 48' ' ' ILE . 15.0 mt -61.01 -69.97 0.21 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.45 1.094 . . . . 0.0 109.275 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -38.23 -46.46 1.08 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.512 1.133 . . . . 0.0 110.296 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 2.7 mm-40 -51.37 -61.46 2.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 110.354 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.787 ' CE1' ' HB1' ' A' ' 50' ' ' ALA . 2.3 m-70 -70.69 -9.18 56.56 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.538 1.149 . . . . 0.0 109.624 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.547 ' CB ' ' O ' ' A' ' 44' ' ' HIS . 1.6 m-20 85.67 58.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.122 . . . . 0.0 109.302 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' TRP . . . . . 0.408 ' CH2' ' HG3' ' A' ' 38' ' ' ARG . 85.1 m95 45.32 61.83 2.41 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 0.0 108.043 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ASN . . . . . 0.448 ' O ' ' N ' ' A' ' 50' ' ' ALA . 3.5 m-20 -129.99 75.31 1.64 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.543 1.152 . . . . 0.0 109.279 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.628 HD11 ' O ' ' A' ' 21' ' ' LYS . 76.4 mt -40.74 -49.03 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 0.0 109.281 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.406 ' O ' ' CD ' ' A' ' 53' ' ' GLN . 1.1 mm-40 -46.22 -42.56 14.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 110.322 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.787 ' HB1' ' CE1' ' A' ' 44' ' ' HIS . . . -87.62 -56.56 3.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.279 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.975 ' HB1' HG22 ' A' ' 40' ' ' THR . . . -43.27 -42.46 4.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.112 . . . . 0.0 109.267 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.475 HG23 HG23 ' A' ' 48' ' ' ILE . 22.7 t -60.39 -44.77 96.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 109.28 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.459 ' O ' ' N ' ' A' ' 57' ' ' ASN . 0.4 OUTLIER -67.26 -68.35 0.39 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 110.319 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.414 ' HB2' ' NE2' ' A' ' 44' ' ' HIS . 1.0 OUTLIER -41.8 -29.81 0.22 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 0.0 109.308 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.801 ' NE ' HD11 ' A' ' 31' ' ' ILE . 3.1 tpt85 -72.87 -58.4 3.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 110.31 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.469 HD12 ' O ' ' A' ' 52' ' ' VAL . 0.4 OUTLIER -68.04 -57.7 5.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.284 179.988 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.459 ' N ' ' O ' ' A' ' 53' ' ' GLN . 3.8 m-80 -39.21 -62.6 0.63 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 0.0 109.353 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -86.25 86.47 7.34 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.493 1.121 . . . . 0.0 110.275 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.18 -58.85 6.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 110.286 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 68.15 124.65 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 110.296 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 81.54 109.27 0.36 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.506 1.129 . . . . 0.0 111.003 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 8.4 t -162.06 169.14 21.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 0.755 . . . . 0.0 109.999 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -66.92 -155.43 0.41 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.529 1.143 . . . . 0.0 111.02 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 75.34 3.73 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.494 1.786 . . . . 0.0 110.969 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 3.7 m -149.37 101.66 3.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 110.001 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 4.0 m 61.76 165.11 0.09 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.13 . . . . 0.0 109.953 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.966 0 O-C-N 124.489 1.118 . . . . 0.0 111.012 179.979 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.029 0 N-CA-C 111.043 -0.823 . . . . 0.0 111.043 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.7 t -79.98 122.07 26.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 0.764 . . . . 0.0 109.996 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -149.95 104.56 3.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 110.003 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -52.22 109.01 0.76 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.527 1.142 . . . . 0.0 110.951 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 90.5 p -145.05 165.99 26.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 0.745 . . . . 0.0 109.999 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -149.43 142.81 25.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.551 1.157 . . . . 0.0 110.004 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 50.54 98.19 0.01 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.504 1.127 . . . . 0.0 111.015 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -172.16 154.69 3.39 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.51 0.771 . . . . 0.0 109.307 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 87.21 1.34 Allowed 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.482 1.78 . . . . 0.0 110.998 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -111.42 162.51 14.98 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 0.0 110.285 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -113.33 173.64 6.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 0.0 110.273 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 64.04 168.03 0.16 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.139 . . . . 0.0 110.286 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -44.97 165.27 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.281 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.428 HD13 ' HH2' ' A' ' 46' ' ' TRP . 15.8 mt -55.0 -176.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.136 . . . . 0.0 109.302 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 7.1 p -103.77 151.23 23.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 110.412 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -38.96 -61.5 0.73 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 110.319 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -44.4 -58.33 3.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 110.284 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 14.5 mm100 -50.3 -63.47 1.11 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 110.329 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.9 m -42.13 -44.27 3.6 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.478 1.111 . . . . 0.0 110.409 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.411 ' HG2' ' N ' ' A' ' 21' ' ' LYS . 0.0 OUTLIER -56.44 -46.66 80.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 110.284 -179.968 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.728 ' O ' HD11 ' A' ' 48' ' ' ILE . 8.6 mttp -56.03 -36.54 68.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.249 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.848 HD22 ' HE2' ' A' ' 34' ' ' MET . 2.5 mt -62.98 -57.03 12.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.322 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.433 HD23 ' N ' ' A' ' 23' ' ' LEU . 4.9 mt -41.52 -50.3 3.98 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 0.0 109.314 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.521 ' C ' HD12 ' A' ' 28' ' ' LEU . 0.9 OUTLIER -52.7 -68.03 0.2 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.502 1.126 . . . . 0.0 110.29 -179.959 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.83 ' CZ ' HG21 ' A' ' 29' ' ' THR . 59.8 t80 -48.01 -58.6 4.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 110.97 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.435 ' O ' ' N ' ' A' ' 30' ' ' GLY . 1.1 tt0 -40.87 -57.77 1.87 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 110.265 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -56.15 -56.24 23.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.316 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.521 HD12 ' C ' ' A' ' 24' ' ' GLN . 2.8 mt -50.71 -68.54 0.16 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.276 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.83 HG21 ' CZ ' ' A' ' 25' ' ' PHE . 27.2 p -52.7 -71.27 0.07 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 110.348 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.435 ' N ' ' O ' ' A' ' 26' ' ' GLN . . . 114.86 12.75 9.89 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.508 1.13 . . . . 0.0 111.031 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.499 HD11 ' HD3' ' A' ' 55' ' ' ARG . 18.5 mt -70.06 148.54 11.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.482 0.754 . . . . 0.0 109.304 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -92.34 -58.1 2.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 110.297 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.97 106.78 0.75 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 109.99 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' MET . . . . . 0.848 ' HE2' HD22 ' A' ' 22' ' ' LEU . 2.4 tpt -49.29 -41.62 38.7 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.46 1.1 . . . . 0.0 110.974 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -51.08 -49.52 60.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 109.297 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 13.8 mt-30 -53.12 -41.05 64.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.12 . . . . 0.0 110.282 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.47 ' HB3' ' CD2' ' A' ' 22' ' ' LEU . 3.3 m -65.65 -73.86 0.12 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 108.261 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 21.5 ttt180 -39.41 -33.93 0.18 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 0.0 110.291 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -60.2 -64.77 0.83 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.603 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.723 HG22 ' HB1' ' A' ' 51' ' ' ALA . 2.5 m -49.96 -36.01 26.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 110.421 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 8.4 mt -72.11 -69.79 0.37 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 109.326 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.42 ' HG2' ' NE1' ' A' ' 46' ' ' TRP . 3.1 mm-40 -38.9 -43.32 0.94 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 110.29 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.21 -61.06 2.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.1 . . . . 0.0 110.311 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.722 ' ND1' ' HB1' ' A' ' 50' ' ' ALA . 5.1 m-70 -70.81 -9.61 57.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.096 . . . . 0.0 109.594 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.551 ' CB ' ' O ' ' A' ' 44' ' ' HIS . 10.3 t-20 87.26 57.17 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.536 1.148 . . . . 0.0 109.307 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' TRP . . . . . 0.428 ' HH2' HD13 ' A' ' 14' ' ' LEU . 85.5 m95 45.71 60.46 3.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.106 . . . . 0.0 108.018 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ASN . . . . . 0.443 ' O ' ' N ' ' A' ' 50' ' ' ALA . 1.3 m-20 -127.48 76.64 1.68 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.131 . . . . 0.0 109.29 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.728 HD11 ' O ' ' A' ' 21' ' ' LYS . 58.1 mt -39.03 -51.07 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.472 1.108 . . . . 0.0 109.322 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -45.83 -46.49 15.6 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 110.286 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.722 ' HB1' ' ND1' ' A' ' 44' ' ' HIS . . . -82.0 -56.69 3.8 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 109.271 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.723 ' HB1' HG22 ' A' ' 40' ' ' THR . . . -42.08 -49.41 4.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 109.292 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 13.6 t -51.05 -44.93 29.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.302 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.433 ' N ' ' O ' ' A' ' 50' ' ' ALA . 0.9 OUTLIER -64.42 -61.54 2.16 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.537 1.148 . . . . 0.0 110.27 -179.961 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.424 ' HB2' ' CD2' ' A' ' 44' ' ' HIS . 18.3 t0 -51.16 -23.73 3.54 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.127 . . . . 0.0 109.297 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.665 ' HG2' HG22 ' A' ' 29' ' ' THR . 38.8 tpt85 -78.5 -56.69 4.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.118 . . . . 0.0 110.329 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -66.62 -57.63 6.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.25 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.408 ' N ' ' O ' ' A' ' 53' ' ' GLN . 64.5 m-20 -40.37 -54.02 2.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 0.0 109.313 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 47.28 66.65 0.96 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.539 1.149 . . . . 0.0 110.306 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -73.26 122.01 21.28 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 110.326 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 47.11 88.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.138 . . . . 0.0 110.285 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 179.67 112.32 0.34 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.461 1.1 . . . . 0.0 111.023 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 20.5 m -125.91 148.15 49.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 0.783 . . . . 0.0 109.99 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 173.57 99.1 0.12 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.472 1.108 . . . . 0.0 111.031 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 166.28 29.55 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.514 1.797 . . . . 0.0 111.007 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 178.99 85.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 110.002 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -176.83 167.09 2.56 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 109.966 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 O-C-N 124.462 1.101 . . . . 0.0 110.984 -179.992 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.975 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.4 p -109.79 153.07 24.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 0.759 . . . . 0.0 110.038 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.5 p -166.95 120.08 0.99 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 110.009 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 87.03 70.74 1.3 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.527 1.142 . . . . 0.0 111.013 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 71.17 -60.46 0.51 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 0.761 . . . . 0.0 109.97 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 66.4 m -162.49 138.95 7.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.541 1.15 . . . . 0.0 110.009 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -83.3 133.42 11.88 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.535 1.147 . . . . 0.0 111.017 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -114.52 154.79 46.57 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.498 0.764 . . . . 0.0 109.275 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 78.37 2.91 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.52 1.8 . . . . 0.0 110.97 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 57.35 170.81 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.543 1.152 . . . . 0.0 110.336 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER 63.93 101.9 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.465 1.103 . . . . 0.0 110.267 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -60.01 167.36 2.32 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.129 . . . . 0.0 110.269 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -172.52 148.45 1.99 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 109.262 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 42.7 mt -72.13 152.51 42.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 109.337 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.435 ' OG1' ' N ' ' A' ' 16' ' ' GLN . 0.2 OUTLIER -114.64 170.61 8.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 110.386 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.435 ' N ' ' OG1' ' A' ' 15' ' ' THR . 1.6 tm0? -54.79 -18.99 5.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.454 1.096 . . . . 0.0 110.323 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -79.67 -61.74 1.9 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.514 1.134 . . . . 0.0 110.32 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 14.3 mm100 -45.45 -54.76 6.94 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.533 1.146 . . . . 0.0 110.3 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 17.6 m -44.28 -55.11 5.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 110.389 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -44.48 -59.85 2.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.442 1.089 . . . . 0.0 110.294 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.621 ' O ' HD11 ' A' ' 48' ' ' ILE . 0.3 OUTLIER -44.18 -44.7 7.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.427 1.08 . . . . 0.0 109.317 179.975 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.461 ' CD2' ' HB3' ' A' ' 37' ' ' CYS . 0.8 OUTLIER -55.43 -59.0 5.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.434 1.084 . . . . 0.0 109.278 -179.976 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.438 HD23 ' N ' ' A' ' 23' ' ' LEU . 5.3 mt -40.36 -50.04 2.81 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.432 1.083 . . . . 0.0 109.333 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.86 -67.49 0.25 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 110.233 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.631 ' HZ ' HG21 ' A' ' 40' ' ' THR . 38.1 t80 -47.66 -52.11 19.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.455 1.097 . . . . 0.0 110.999 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -54.03 -41.3 67.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 110.279 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -71.78 -36.37 70.33 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.461 1.101 . . . . 0.0 109.299 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 3.8 mt -69.68 -63.78 1.01 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.509 1.131 . . . . 0.0 109.317 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.554 HG21 ' CZ ' ' A' ' 25' ' ' PHE . 28.3 p -62.98 -72.16 0.14 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 110.372 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 114.54 16.35 7.64 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.512 1.133 . . . . 0.0 110.974 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.877 HD11 ' NE ' ' A' ' 55' ' ' ARG . 18.0 mt -68.9 127.42 30.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.529 0.782 . . . . 0.0 109.306 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.86 -52.17 27.13 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.465 1.103 . . . . 0.0 110.304 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -63.56 113.12 3.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.098 . . . . 0.0 110.002 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.53 -49.24 78.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 111.002 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -50.23 -42.21 51.35 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.128 . . . . 0.0 109.273 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.554 ' HB3' HG21 ' A' ' 31' ' ' ILE . 10.4 mt-30 -59.55 -31.09 69.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.107 . . . . 0.0 110.284 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.461 ' HB3' ' CD2' ' A' ' 22' ' ' LEU . 1.6 m -75.62 -74.02 0.23 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 108.296 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.475 ' HG3' ' CZ2' ' A' ' 46' ' ' TRP . 35.3 ttp180 -40.04 -30.21 0.09 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 110.295 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.414 ' N ' ' C ' ' A' ' 37' ' ' CYS . 4.4 t-80 -61.53 -69.73 0.23 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 109.614 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.994 HG22 ' HB1' ' A' ' 51' ' ' ALA . 1.2 m -46.3 -31.94 2.84 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 110.37 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.498 HD21 HG12 ' A' ' 48' ' ' ILE . 19.7 mt -76.34 -70.53 0.44 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 109.326 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.411 ' HG2' ' NE1' ' A' ' 46' ' ' TRP . 2.4 mm-40 -38.9 -43.44 0.95 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 110.311 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -49.69 -65.87 0.49 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.505 1.128 . . . . 0.0 110.255 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.616 ' CE1' ' HB1' ' A' ' 50' ' ' ALA . 2.2 m-70 -69.16 -9.43 52.84 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 109.639 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.589 ' CB ' ' O ' ' A' ' 44' ' ' HIS . 23.9 t30 88.76 59.89 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 109.292 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' TRP . . . . . 0.475 ' CZ2' ' HG3' ' A' ' 38' ' ' ARG . 82.8 m95 44.87 62.81 1.94 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 107.979 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ASN . . . . . 0.464 ' O ' ' N ' ' A' ' 50' ' ' ALA . 0.8 OUTLIER -129.8 76.92 1.76 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 109.302 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.621 HD11 ' O ' ' A' ' 21' ' ' LYS . 49.1 mt -39.71 -51.44 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 109.306 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -45.96 -43.46 14.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 110.278 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.616 ' HB1' ' CE1' ' A' ' 44' ' ' HIS . . . -84.05 -58.1 2.91 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.526 1.141 . . . . 0.0 109.276 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.994 ' HB1' HG22 ' A' ' 40' ' ' THR . . . -41.77 -46.4 3.85 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.31 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.44 ' O ' HD12 ' A' ' 56' ' ' LEU . 14.0 t -59.86 -45.72 94.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.455 1.097 . . . . 0.0 109.279 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.461 ' O ' ' N ' ' A' ' 57' ' ' ASN . 2.9 mm-40 -66.4 -65.24 0.7 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 110.327 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.418 ' HB2' ' NE2' ' A' ' 44' ' ' HIS . 24.6 t0 -45.8 -26.02 0.6 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 109.281 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.877 ' NE ' HD11 ' A' ' 31' ' ' ILE . 0.5 OUTLIER -77.88 -59.22 2.87 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.532 1.145 . . . . 0.0 110.349 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.44 HD12 ' O ' ' A' ' 52' ' ' VAL . 0.4 OUTLIER -66.29 -58.88 4.39 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.498 1.123 . . . . 0.0 109.354 179.957 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.461 ' N ' ' O ' ' A' ' 53' ' ' GLN . 44.1 m-20 -39.93 -63.99 0.54 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.132 . . . . 0.0 109.304 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -71.72 105.47 3.74 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 110.291 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 3.8 tt0 69.24 128.39 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 0.0 110.328 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -150.38 127.75 11.41 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.456 1.097 . . . . 0.0 110.3 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -86.51 67.13 3.51 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.467 1.104 . . . . 0.0 110.989 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -162.08 160.46 27.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 0.764 . . . . 0.0 109.988 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -52.84 171.86 0.47 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.489 1.118 . . . . 0.0 110.995 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 133.46 16.61 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.542 1.812 . . . . 0.0 111.021 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 44.6 t -107.52 132.07 53.64 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.52 1.138 . . . . 0.0 110.016 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 86.2 p -103.76 140.18 37.98 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 109.983 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 O-C-N 124.512 1.132 . . . . 0.0 110.999 179.96 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -129.7 163.35 26.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 0.751 . . . . 0.0 110.008 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -105.07 -58.78 1.84 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 110.038 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 50.88 65.59 2.97 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.46 1.1 . . . . 0.0 111.023 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.1 t -174.82 158.63 2.64 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.463 0.743 . . . . 0.0 110.017 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.1 t -162.32 -59.88 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 110.01 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 176.5 89.03 0.07 OUTLIER Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.527 1.142 . . . . 0.0 110.976 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -144.13 93.38 6.01 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.541 0.789 . . . . 0.0 109.251 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 64.22 6.04 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.529 1.805 . . . . 0.0 110.978 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -90.75 125.26 35.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 1.139 . . . . 0.0 110.34 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -39.64 151.47 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.431 1.082 . . . . 0.0 110.287 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 62.99 112.51 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 110.307 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.403 ' O ' ' C ' ' A' ' 14' ' ' LEU . 0.4 OUTLIER -142.27 17.09 2.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.135 . . . . 0.0 109.331 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.649 HD13 ' HH2' ' A' ' 46' ' ' TRP . 45.3 mt -39.6 153.55 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 109.284 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 12.7 p -96.16 159.85 14.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.438 1.086 . . . . 0.0 110.373 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 22.5 mp0 -38.41 -57.48 1.13 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.544 1.152 . . . . 0.0 110.312 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -45.64 -59.95 2.47 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.537 1.148 . . . . 0.0 110.332 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 24.7 mt-30 -58.54 -59.73 4.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 110.309 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 18.0 m -42.08 -60.64 1.36 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.143 . . . . 0.0 110.398 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -48.64 -60.43 2.72 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.556 1.16 . . . . 0.0 110.3 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.577 ' O ' HD11 ' A' ' 48' ' ' ILE . 1.4 mttm -40.23 -48.94 2.67 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.53 1.144 . . . . 0.0 109.321 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.471 ' CD2' ' HB3' ' A' ' 37' ' ' CYS . 2.5 mt -50.84 -60.24 3.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 109.339 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.438 HD23 ' N ' ' A' ' 23' ' ' LEU . 4.7 mt -40.46 -51.33 2.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.322 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.506 ' OE1' HD11 ' A' ' 28' ' ' LEU . 5.3 mm-40 -52.94 -67.97 0.21 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.494 1.121 . . . . 0.0 110.303 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.639 ' CZ ' HG21 ' A' ' 29' ' ' THR . 60.8 t80 -49.5 -51.9 33.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 111.017 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 4.9 tt0 -52.2 -38.65 58.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 110.319 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -72.91 -49.63 28.51 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 109.264 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.506 HD11 ' OE1' ' A' ' 24' ' ' GLN . 2.8 mt -57.2 -64.26 0.94 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.514 1.134 . . . . 0.0 109.327 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.639 HG21 ' CZ ' ' A' ' 25' ' ' PHE . 67.4 p -59.71 -69.27 0.22 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.449 1.093 . . . . 0.0 110.403 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 108.99 24.96 5.81 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.496 1.122 . . . . 0.0 110.985 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.844 HD11 ' NE ' ' A' ' 55' ' ' ARG . 20.7 mt -75.83 134.69 28.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.505 0.767 . . . . 0.0 109.271 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -74.19 -60.86 2.07 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 110.255 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 19.9 m -64.58 111.65 2.81 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.553 1.158 . . . . 0.0 110.01 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' MET . . . . . 0.467 ' HE2' HD13 ' A' ' 22' ' ' LEU . 0.1 OUTLIER -55.64 -38.76 69.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.143 . . . . 0.0 110.973 -179.963 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -50.43 -49.26 55.35 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.142 . . . . 0.0 109.283 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 14.6 mt-30 -53.54 -42.83 67.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 110.346 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.471 ' HB3' ' CD2' ' A' ' 22' ' ' LEU . 1.8 m -61.42 -73.44 0.1 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.454 1.096 . . . . 0.0 108.312 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 6.7 ttp180 -38.73 -33.48 0.11 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.132 . . . . 0.0 110.271 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 9.2 t-160 -59.29 -70.12 0.17 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.595 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' THR . . . . . 1.01 HG22 ' HB1' ' A' ' 51' ' ' ALA . 1.4 m -46.21 -36.15 5.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 110.423 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.497 HD21 HG12 ' A' ' 48' ' ' ILE . 12.5 mt -71.12 -70.21 0.32 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.467 1.104 . . . . 0.0 109.25 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -38.36 -47.42 1.23 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.541 1.15 . . . . 0.0 110.317 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -50.41 -64.08 0.92 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.479 1.112 . . . . 0.0 110.336 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.733 ' ND1' ' HB1' ' A' ' 50' ' ' ALA . 4.4 m-70 -68.81 -9.59 52.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.133 . . . . 0.0 109.604 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.543 ' CB ' ' O ' ' A' ' 44' ' ' HIS . 4.4 m120 85.34 60.69 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 0.0 109.286 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' TRP . . . . . 0.649 ' HH2' HD13 ' A' ' 14' ' ' LEU . 81.3 m95 42.91 62.19 1.87 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 107.995 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ASN . . . . . 0.44 ' O ' ' N ' ' A' ' 50' ' ' ALA . 2.6 m-20 -128.61 75.74 1.66 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 109.276 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.577 HD11 ' O ' ' A' ' 21' ' ' LYS . 11.2 mt -39.87 -48.81 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.454 1.096 . . . . 0.0 109.274 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -47.37 -45.76 25.29 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.547 1.154 . . . . 0.0 110.308 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.733 ' HB1' ' ND1' ' A' ' 44' ' ' HIS . . . -83.39 -57.08 3.4 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.442 1.088 . . . . 0.0 109.285 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 1.01 ' HB1' HG22 ' A' ' 40' ' ' THR . . . -42.27 -46.14 4.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.45 1.094 . . . . 0.0 109.294 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.496 HG23 ' O ' ' A' ' 48' ' ' ILE . 22.4 t -55.5 -45.54 78.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.538 1.149 . . . . 0.0 109.337 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.462 ' O ' ' N ' ' A' ' 57' ' ' ASN . 70.4 mm-40 -65.95 -68.18 0.39 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 110.308 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.423 ' HB2' ' NE2' ' A' ' 44' ' ' HIS . 1.2 t70 -41.2 -29.11 0.12 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.459 1.099 . . . . 0.0 109.307 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.844 ' NE ' HD11 ' A' ' 31' ' ' ILE . 5.2 tpt85 -75.34 -58.86 3.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.536 1.147 . . . . 0.0 110.334 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.438 HD12 ' O ' ' A' ' 52' ' ' VAL . 0.5 OUTLIER -69.9 -61.58 1.72 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.135 . . . . 0.0 109.339 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.462 ' N ' ' O ' ' A' ' 53' ' ' GLN . 48.0 m-20 -39.64 -51.66 2.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 109.29 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 44.12 68.45 0.53 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.515 1.134 . . . . 0.0 110.251 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 12.7 tt0 -106.09 70.28 0.84 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.52 1.138 . . . . 0.0 110.281 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -92.58 -63.75 1.19 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.134 . . . . 0.0 110.314 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 67.8 134.7 0.05 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.526 1.141 . . . . 0.0 110.967 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -154.73 165.41 36.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 0.761 . . . . 0.0 110.027 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 150.43 75.0 0.01 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.51 1.131 . . . . 0.0 110.96 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 171.03 19.11 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.508 1.794 . . . . 0.0 111.006 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -149.9 95.01 2.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.142 . . . . 0.0 109.995 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -92.0 149.4 21.55 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 109.996 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.013 0 O-C-N 124.523 1.139 . . . . 0.0 110.999 179.974 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.3 p -135.28 95.07 3.21 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.532 0.784 . . . . 0.0 110.007 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -165.24 157.86 15.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 109.995 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -89.79 126.5 8.31 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.43 1.081 . . . . 0.0 111.023 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.2 t -162.17 135.45 6.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 0.765 . . . . 0.0 110.015 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 90.2 p -80.78 172.57 13.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 109.984 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.497 ' O ' ' HB2' ' A' ' 8' ' ' ALA . . . -119.31 112.43 2.28 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.519 1.137 . . . . 0.0 110.992 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.497 ' HB2' ' O ' ' A' ' 7' ' ' GLY . . . 176.05 93.36 0.1 OUTLIER Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.51 0.77 . . . . 0.0 109.272 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 56.68 4.34 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.493 1.786 . . . . 0.0 111.026 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 55.41 169.22 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.436 1.085 . . . . 0.0 110.324 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 63.58 157.08 0.07 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.113 . . . . 0.0 110.295 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 2.1 mtp180 57.34 101.84 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 110.279 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 16.2 p30 -123.21 161.92 23.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 109.335 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 40.6 mt -49.08 163.66 0.08 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 109.329 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 43.6 p -112.15 163.88 13.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.118 . . . . 0.0 110.373 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -43.72 -56.77 3.58 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.533 1.146 . . . . 0.0 110.318 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -42.03 -64.54 0.57 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.535 1.147 . . . . 0.0 110.296 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 86.7 mt-30 -50.83 -59.17 4.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 110.328 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.401 ' O ' ' C ' ' A' ' 20' ' ' GLU . 5.2 m -41.87 -65.51 0.44 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 110.392 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.401 ' C ' ' O ' ' A' ' 19' ' ' THR . 2.9 tt0 -39.0 -61.99 0.68 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.443 1.09 . . . . 0.0 110.3 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 7.1 mttt -41.68 -60.03 1.47 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.439 1.087 . . . . 0.0 109.318 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.466 ' CD2' ' HB3' ' A' ' 37' ' ' CYS . 1.1 mt -41.57 -54.15 3.28 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.488 1.118 . . . . 0.0 109.304 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.432 HD23 ' N ' ' A' ' 23' ' ' LEU . 5.8 mt -44.47 -63.42 0.9 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 0.0 109.291 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.453 ' C ' HD12 ' A' ' 28' ' ' LEU . 0.0 OUTLIER -45.56 -63.88 0.85 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 110.249 -179.972 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.732 ' CZ ' HG21 ' A' ' 29' ' ' THR . 80.6 t80 -45.04 -59.75 2.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 111.02 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.442 ' O ' ' N ' ' A' ' 30' ' ' GLY . 1.0 OUTLIER -42.94 -59.15 2.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 0.0 110.298 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -51.9 -42.04 62.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 109.332 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.453 HD12 ' C ' ' A' ' 24' ' ' GLN . 3.3 mt -63.94 -62.95 1.31 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 109.341 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.732 HG21 ' CZ ' ' A' ' 25' ' ' PHE . 74.6 p -62.71 -76.32 0.06 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.537 1.148 . . . . 0.0 110.395 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.442 ' N ' ' O ' ' A' ' 26' ' ' GLN . . . 116.59 14.01 7.72 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.463 1.102 . . . . 0.0 111.038 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.8 HD11 ' HD3' ' A' ' 55' ' ' ARG . 16.1 mt -67.8 135.81 27.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.428 0.723 . . . . 0.0 109.295 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -76.01 -61.0 2.08 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.543 1.152 . . . . 0.0 110.264 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -60.97 103.32 0.26 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.553 1.158 . . . . 0.0 110.055 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -47.19 -49.31 23.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 111.027 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -42.87 -55.97 3.46 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.46 1.1 . . . . 0.0 109.279 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.46 ' HB3' HG21 ' A' ' 31' ' ' ILE . 6.6 mt-30 -45.38 -42.82 10.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 110.331 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.466 ' HB3' ' CD2' ' A' ' 22' ' ' LEU . 1.3 m -65.71 -73.79 0.12 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.145 . . . . 0.0 108.264 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.422 ' HG3' ' CZ2' ' A' ' 46' ' ' TRP . 22.1 ttt180 -40.77 -29.97 0.11 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.135 . . . . 0.0 110.284 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.412 ' N ' ' C ' ' A' ' 37' ' ' CYS . 2.7 t-80 -65.93 -55.38 17.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 109.616 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.867 HG22 ' HB1' ' A' ' 51' ' ' ALA . 1.0 OUTLIER -60.75 -18.21 53.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 110.413 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.453 ' O ' ' N ' ' A' ' 44' ' ' HIS . 9.3 mt -91.27 -65.01 1.05 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.101 . . . . 0.0 109.297 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -42.26 -42.54 3.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 110.29 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' GLN . . . . . 0.514 ' NE2' ' HA ' ' A' ' 40' ' ' THR . 2.9 pt20 -57.53 -41.26 80.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 110.265 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.796 ' ND1' ' HB1' ' A' ' 50' ' ' ALA . 54.6 m-70 -87.87 -9.45 53.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 109.614 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.575 ' CB ' ' O ' ' A' ' 44' ' ' HIS . 20.2 t30 88.04 36.38 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 109.295 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' TRP . . . . . 0.422 ' CZ2' ' HG3' ' A' ' 38' ' ' ARG . 88.4 m95 65.84 52.19 1.3 Allowed 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ASN . . . . . 0.448 ' O ' ' N ' ' A' ' 50' ' ' ALA . 1.2 m-20 -116.7 81.98 1.72 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.565 1.166 . . . . 0.0 109.265 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.59 HG23 HG23 ' A' ' 52' ' ' VAL . 43.4 mt -43.18 -46.93 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.112 . . . . 0.0 109.316 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -49.01 -38.71 24.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.546 1.154 . . . . 0.0 110.326 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.796 ' HB1' ' ND1' ' A' ' 44' ' ' HIS . . . -89.46 -56.07 3.4 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 109.279 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.867 ' HB1' HG22 ' A' ' 40' ' ' THR . . . -45.55 -45.84 13.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 109.29 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.801 ' O ' HD12 ' A' ' 56' ' ' LEU . 37.6 t -54.54 -37.89 40.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.546 1.154 . . . . 0.0 109.326 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.446 ' N ' ' O ' ' A' ' 50' ' ' ALA . 2.1 tp-100 -73.3 -63.44 1.19 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 110.311 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.425 ' HB2' ' NE2' ' A' ' 44' ' ' HIS . 0.9 OUTLIER -50.17 -23.28 2.08 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 109.295 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.8 ' HD3' HD11 ' A' ' 31' ' ' ILE . 36.8 tpt85 -76.21 -48.19 21.27 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.452 1.095 . . . . 0.0 110.282 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.801 HD12 ' O ' ' A' ' 52' ' ' VAL . 0.4 OUTLIER -71.49 -38.67 71.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.105 . . . . 0.0 109.318 179.973 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.524 ' O ' ' CB ' ' A' ' 58' ' ' GLU . 1.2 m-20 -43.26 -61.13 1.42 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.267 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.524 ' CB ' ' O ' ' A' ' 57' ' ' ASN . 0.6 OUTLIER 87.74 -40.73 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 110.343 -179.964 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 1.4 pp0? -66.77 149.39 50.62 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.126 . . . . 0.0 110.271 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 66.31 95.94 0.06 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.124 . . . . 0.0 110.312 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -146.21 134.06 5.2 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.529 1.143 . . . . 0.0 110.986 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 3.8 t -135.75 120.78 18.76 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 0.753 . . . . 0.0 109.986 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -122.04 -84.65 0.74 Allowed Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.472 1.108 . . . . 0.0 110.995 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 148.83 35.85 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.528 1.804 . . . . 0.0 111.028 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 53.1 p -127.43 128.5 45.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 110.003 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -44.73 -58.72 2.9 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.469 1.105 . . . . 0.0 110.008 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.018 0 O-C-N 124.505 1.128 . . . . 0.0 111.01 179.982 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.8 t -149.87 152.43 35.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 0.782 . . . . 0.0 110.007 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 87.5 p -165.5 107.34 0.78 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 110.001 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 132.24 100.4 0.78 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.497 1.123 . . . . 0.0 111.007 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 97.7 p -167.0 137.45 3.07 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 0.77 . . . . 0.0 110.024 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -86.21 -58.84 2.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 109.994 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 75.31 133.62 0.37 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.493 1.12 . . . . 0.0 110.982 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -169.38 154.91 5.92 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.497 0.763 . . . . 0.0 109.291 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 88.06 1.27 Allowed 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.48 1.779 . . . . 0.0 111.045 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -91.35 114.31 26.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 110.344 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -72.24 148.16 45.77 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.127 . . . . 0.0 110.316 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -99.69 101.88 13.19 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.13 . . . . 0.0 110.28 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 5.8 t70 175.0 150.2 0.1 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 109.32 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.489 HD11 ' HE ' ' A' ' 38' ' ' ARG . 60.8 mt -130.14 164.11 25.16 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.526 1.142 . . . . 0.0 109.315 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 65.8 p -108.99 154.42 22.21 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 110.382 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 30.2 mt-30 -39.14 -59.47 1.01 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.546 1.154 . . . . 0.0 110.281 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -43.32 -61.77 1.25 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 110.297 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 75.6 mt-30 -49.45 -59.78 3.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.55 1.156 . . . . 0.0 110.295 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 19.4 m -41.05 -64.93 0.48 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.477 1.111 . . . . 0.0 110.429 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -39.56 -58.42 1.29 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 110.279 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 15.2 mttp -43.39 -59.68 2.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 0.0 109.293 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.468 ' CD2' ' HB3' ' A' ' 37' ' ' CYS . 1.3 mt -41.68 -54.3 3.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 109.3 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.436 HD23 ' N ' ' A' ' 23' ' ' LEU . 5.7 mt -44.55 -63.38 0.91 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 109.265 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -45.03 -67.54 0.28 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.501 1.125 . . . . 0.0 110.301 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.551 ' CZ ' HG21 ' A' ' 29' ' ' THR . 88.5 t80 -46.69 -45.17 19.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 110.967 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 -59.46 -45.73 90.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.456 1.098 . . . . 0.0 110.298 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -63.21 -41.64 99.18 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.556 1.16 . . . . 0.0 109.283 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.3 mt -66.0 -58.18 6.1 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 0.0 109.306 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.551 HG21 ' CZ ' ' A' ' 25' ' ' PHE . 41.3 p -63.41 -73.12 0.12 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 110.442 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 110.67 21.41 6.82 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.48 1.112 . . . . 0.0 111.022 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.908 HD11 ' NE ' ' A' ' 55' ' ' ARG . 35.1 mt -74.8 128.68 36.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.484 0.755 . . . . 0.0 109.301 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -71.95 -39.15 69.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 110.31 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 5.5 m -80.01 107.41 12.77 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.461 1.101 . . . . 0.0 110.009 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.56 -52.8 60.95 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.143 . . . . 0.0 111.025 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -44.22 -52.06 7.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 0.0 109.351 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 8.1 mm100 -48.28 -42.44 30.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 110.309 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.468 ' HB3' ' CD2' ' A' ' 22' ' ' LEU . 1.2 m -66.68 -73.12 0.14 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.484 1.115 . . . . 0.0 108.332 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.489 ' HE ' HD11 ' A' ' 14' ' ' LEU . 5.5 ttm180 -38.63 -33.48 0.11 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.436 1.085 . . . . 0.0 110.313 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -63.51 -54.66 32.87 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.538 1.149 . . . . 0.0 109.597 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.706 HG22 ' HB1' ' A' ' 51' ' ' ALA . 1.0 OUTLIER -61.26 -16.67 47.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 110.412 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.452 ' O ' ' N ' ' A' ' 44' ' ' HIS . 8.8 mt -91.61 -62.34 1.45 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 109.319 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.421 ' HG2' ' NE1' ' A' ' 46' ' ' TRP . 0.4 OUTLIER -45.78 -41.53 10.97 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 110.287 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 43' ' ' GLN . . . . . 0.485 ' HG3' ' CD2' ' A' ' 44' ' ' HIS . 11.8 pt20 -57.97 -32.86 68.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 110.274 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.793 ' ND1' ' HB1' ' A' ' 50' ' ' ALA . 61.0 m-70 -97.58 -9.53 26.8 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 109.609 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.56 ' CB ' ' O ' ' A' ' 44' ' ' HIS . 16.5 t30 88.15 35.38 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.278 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' TRP . . . . . 0.421 ' NE1' ' HG2' ' A' ' 42' ' ' GLU . 88.6 m95 66.17 52.11 1.19 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.527 1.142 . . . . 0.0 107.993 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ASN . . . . . 0.454 ' O ' ' N ' ' A' ' 50' ' ' ALA . 1.3 m-20 -115.96 81.63 1.63 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 0.0 109.272 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.551 HG23 HG23 ' A' ' 52' ' ' VAL . 43.9 mt -41.71 -46.89 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 0.0 109.335 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -48.94 -42.43 37.33 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 110.299 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.793 ' HB1' ' ND1' ' A' ' 44' ' ' HIS . . . -85.69 -55.01 4.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.47 1.106 . . . . 0.0 109.279 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.706 ' HB1' HG22 ' A' ' 40' ' ' THR . . . -45.78 -48.5 15.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 109.283 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.551 HG23 HG23 ' A' ' 48' ' ' ILE . 41.9 t -56.66 -45.87 82.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.291 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.455 ' O ' ' N ' ' A' ' 57' ' ' ASN . 14.8 mm-40 -63.53 -68.42 0.35 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 110.319 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.429 ' HB2' ' NE2' ' A' ' 44' ' ' HIS . 0.2 OUTLIER -40.84 -36.71 0.67 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 109.276 179.987 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.908 ' NE ' HD11 ' A' ' 31' ' ' ILE . 6.8 tpt85 -65.17 -61.39 2.16 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.547 1.155 . . . . 0.0 110.321 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.413 ' O ' ' C ' ' A' ' 57' ' ' ASN . 0.4 OUTLIER -65.22 -60.81 2.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.115 . . . . 0.0 109.267 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.455 ' N ' ' O ' ' A' ' 53' ' ' GLN . 7.5 m-80 -39.34 -50.74 2.05 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.508 1.13 . . . . 0.0 109.286 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 43.58 67.71 0.61 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.472 1.108 . . . . 0.0 110.312 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 4.7 mm-40 52.91 99.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 110.254 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 -117.41 -56.97 2.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 110.302 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -151.76 103.85 0.25 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.548 1.155 . . . . 0.0 111.006 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 53.1 m -97.66 152.35 19.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 0.751 . . . . 0.0 109.97 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -118.88 158.1 14.99 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.536 1.148 . . . . 0.0 111.032 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 139.92 24.9 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.493 1.786 . . . . 0.0 110.986 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -154.22 92.45 1.52 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.988 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 53.06 87.57 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 110.01 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.968 0 O-C-N 124.444 1.09 . . . . 0.0 110.993 179.967 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.015 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.9 t 58.22 161.42 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 0.776 . . . . 0.0 109.969 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.2 t -155.24 98.41 1.99 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 110.0 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 77.81 140.42 1.45 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.544 1.153 . . . . 0.0 111.013 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.7 p -173.14 114.38 0.25 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.473 0.749 . . . . 0.0 109.946 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 58.27 102.4 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 0.0 109.987 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -92.98 65.75 1.93 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.472 1.108 . . . . 0.0 110.968 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -151.1 155.63 34.96 Favored Pre-proline 0 C--N 1.324 -0.524 0 O-C-N 124.463 0.743 . . . . 0.0 109.336 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 65.14 6.06 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.483 1.78 . . . . 0.0 111.057 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -148.66 179.51 7.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 110.294 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.406 ' O ' ' CG ' ' A' ' 11' ' ' GLU . 2.2 pt-20 -172.2 110.11 0.25 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 110.292 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -111.98 103.2 11.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 110.288 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -88.57 157.22 18.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.461 1.101 . . . . 0.0 109.292 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.455 HD21 ' NH2' ' A' ' 38' ' ' ARG . 8.1 mt -94.12 -178.44 4.63 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.535 1.147 . . . . 0.0 109.32 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 62.6 p -112.95 158.26 20.46 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.567 1.167 . . . . 0.0 110.426 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -44.3 -60.64 1.83 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.532 1.145 . . . . 0.0 110.286 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -40.83 -64.39 0.54 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 110.309 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 61.7 mt-30 -51.25 -59.13 4.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 110.294 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 5.2 m -42.56 -60.94 1.35 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 110.432 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -39.03 -55.39 1.58 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.123 . . . . 0.0 110.282 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 4.9 mttp -47.25 -54.55 10.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 0.0 109.338 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.968 HD22 ' SD ' ' A' ' 34' ' ' MET . 0.6 OUTLIER -46.49 -56.2 6.34 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.477 1.11 . . . . 0.0 109.333 179.965 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.438 HD23 ' N ' ' A' ' 23' ' ' LEU . 5.4 mt -41.78 -60.51 1.35 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 109.296 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.52 ' O ' HD12 ' A' ' 28' ' ' LEU . 0.1 OUTLIER -45.95 -63.23 1.03 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.131 . . . . 0.0 110.29 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.63 ' CZ ' HG21 ' A' ' 29' ' ' THR . 64.0 t80 -44.86 -58.07 3.35 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 110.995 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.4 ' O ' ' C ' ' A' ' 27' ' ' ASP . 37.0 tt0 -44.91 -69.55 0.13 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 110.316 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.4 ' C ' ' O ' ' A' ' 26' ' ' GLN . 6.6 t0 -40.27 -48.31 2.6 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.1 . . . . 0.0 109.287 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.52 HD12 ' O ' ' A' ' 24' ' ' GLN . 3.1 mt -58.67 -80.61 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 109.33 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.63 HG21 ' CZ ' ' A' ' 25' ' ' PHE . 70.2 p -38.83 -56.7 1.33 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.531 1.145 . . . . 0.0 110.375 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 103.52 17.51 17.13 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.491 1.119 . . . . 0.0 111.017 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.577 HD11 ' HD3' ' A' ' 55' ' ' ARG . 15.9 mt -72.57 151.81 7.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.476 0.751 . . . . 0.0 109.323 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -100.42 -33.95 10.15 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.556 1.16 . . . . 0.0 110.324 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -91.44 92.3 8.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 110.006 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' MET . . . . . 0.968 ' SD ' HD22 ' A' ' 22' ' ' LEU . 43.4 tpp -56.0 -16.9 5.51 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.455 1.097 . . . . 0.0 110.959 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -66.73 -32.03 73.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 109.326 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -83.75 -27.64 28.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 110.293 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.485 ' HB3' HD21 ' A' ' 22' ' ' LEU . 1.1 m -65.54 -64.49 0.85 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 108.321 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.455 ' NH2' HD21 ' A' ' 14' ' ' LEU . 10.9 ttt180 -42.39 -31.9 0.47 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.538 1.148 . . . . 0.0 110.305 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -66.28 -53.64 34.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.547 1.154 . . . . 0.0 109.584 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.541 HG22 ' HB1' ' A' ' 51' ' ' ALA . 1.7 m -59.49 -25.99 64.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.546 1.154 . . . . 0.0 110.424 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 7.9 mt -84.45 -67.35 0.8 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.475 1.109 . . . . 0.0 109.309 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.421 ' HG2' ' NE1' ' A' ' 46' ' ' TRP . 1.6 mm-40 -39.38 -45.6 1.49 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 110.313 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -52.56 -58.99 5.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.105 . . . . 0.0 110.296 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.706 ' ND1' ' HB1' ' A' ' 50' ' ' ALA . 12.0 m-70 -71.8 -9.57 58.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.093 . . . . 0.0 109.657 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.544 ' CB ' ' O ' ' A' ' 44' ' ' HIS . 19.8 t30 87.04 56.64 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.473 1.108 . . . . 0.0 109.335 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' TRP . . . . . 0.421 ' NE1' ' HG2' ' A' ' 42' ' ' GLU . 82.3 m95 44.13 60.75 2.63 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.112 . . . . 0.0 108.01 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ASN . . . . . 0.455 ' O ' ' N ' ' A' ' 50' ' ' ALA . 3.4 m-20 -125.92 80.72 1.93 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 109.273 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.411 ' O ' HG23 ' A' ' 52' ' ' VAL . 45.9 mt -39.58 -50.96 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.294 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -45.99 -44.94 15.43 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 110.277 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.706 ' HB1' ' ND1' ' A' ' 44' ' ' HIS . . . -83.39 -57.26 3.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.304 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.541 ' HB1' HG22 ' A' ' 40' ' ' THR . . . -42.15 -47.31 4.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 109.254 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.411 HG23 ' O ' ' A' ' 48' ' ' ILE . 15.4 t -52.87 -45.35 50.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.149 . . . . 0.0 109.265 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.439 ' N ' ' O ' ' A' ' 50' ' ' ALA . 24.2 mm100 -63.41 -67.14 0.45 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 0.0 110.329 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.41 ' HB2' ' NE2' ' A' ' 44' ' ' HIS . 8.2 t0 -47.65 -24.98 1.03 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 0.0 109.306 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.577 ' HD3' HD11 ' A' ' 31' ' ' ILE . 38.4 tpt85 -76.33 -56.44 4.64 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.437 1.085 . . . . 0.0 110.318 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.406 ' O ' ' N ' ' A' ' 59' ' ' GLN . 0.3 OUTLIER -67.19 -52.32 42.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.099 . . . . 0.0 109.296 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 6.8 m-80 -46.67 -55.27 8.0 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.557 1.161 . . . . 0.0 109.305 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 19.2 mt-10 -47.75 -24.17 0.89 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 110.292 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.406 ' N ' ' O ' ' A' ' 56' ' ' LEU . 2.1 tm0? -76.66 -64.48 1.11 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 110.262 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -147.06 126.97 13.55 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 110.297 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 171.02 -134.46 3.12 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.507 1.129 . . . . 0.0 111.015 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 27.9 t 178.54 136.57 0.09 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.559 0.799 . . . . 0.0 109.982 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -133.04 157.41 22.65 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.481 1.113 . . . . 0.0 111.018 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 87.14 1.34 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.485 1.782 . . . . 0.0 111.02 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 3.4 t 61.45 178.52 0.11 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.566 1.166 . . . . 0.0 109.956 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -75.26 137.17 41.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 110.035 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.04 0 O-C-N 124.443 1.089 . . . . 0.0 110.97 -179.974 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 178.5 135.41 0.08 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 0.777 . . . . 0.0 110.022 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.7 p 56.85 166.55 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.133 . . . . 0.0 109.984 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -116.69 138.9 14.74 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.551 1.157 . . . . 0.0 110.982 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 49.2 p -147.34 119.97 8.57 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.522 0.777 . . . . 0.0 110.021 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -148.23 79.27 1.45 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.958 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 152.46 129.61 1.48 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.523 1.14 . . . . 0.0 110.998 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.597 ' HB3' ' OE1' ' A' ' 10' ' ' GLU . . . -120.77 161.05 41.96 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.485 0.756 . . . . 0.0 109.336 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 58.78 5.0 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.527 1.803 . . . . 0.0 111.02 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.597 ' OE1' ' HB3' ' A' ' 8' ' ' ALA . 5.7 mt-10 -100.08 132.11 45.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 110.282 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -99.69 76.86 2.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 110.318 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 19.1 ttm105 -92.64 106.15 18.18 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.106 . . . . 0.0 110.288 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 6.6 p30 -51.78 135.91 28.68 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.512 1.132 . . . . 0.0 109.346 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 16.4 mt -86.04 176.57 7.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 109.325 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 65.5 p -109.21 158.6 17.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.461 1.101 . . . . 0.0 110.398 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 31.0 mt-30 -47.91 -55.37 10.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 110.305 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -47.18 -61.63 1.8 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.127 . . . . 0.0 110.286 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.57 ' NE2' ' CE2' ' A' ' 46' ' ' TRP . 0.9 OUTLIER -52.66 -59.72 4.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 110.296 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.7 m -41.39 -63.36 0.71 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 110.429 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -41.51 -57.29 2.27 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.129 . . . . 0.0 110.286 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.471 ' O ' HD11 ' A' ' 48' ' ' ILE . 1.9 mttp -45.01 -49.61 11.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.117 . . . . 0.0 109.304 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.622 HD13 ' SD ' ' A' ' 34' ' ' MET . 1.1 mt -49.81 -57.61 7.02 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 109.304 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.441 HD23 ' N ' ' A' ' 23' ' ' LEU . 5.3 mt -41.82 -58.43 2.02 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 0.0 109.282 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.559 ' C ' HD12 ' A' ' 28' ' ' LEU . 0.8 OUTLIER -45.99 -69.37 0.13 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 110.305 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.713 ' CZ ' HG21 ' A' ' 29' ' ' THR . 87.5 t80 -44.42 -58.2 3.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.113 . . . . 0.0 111.044 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.435 ' O ' ' N ' ' A' ' 30' ' ' GLY . 38.8 tt0 -43.92 -69.17 0.14 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 110.292 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -41.89 -49.1 4.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 109.316 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.559 HD12 ' C ' ' A' ' 24' ' ' GLN . 2.9 mt -58.79 -65.7 0.62 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.512 1.133 . . . . 0.0 109.305 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.713 HG21 ' CZ ' ' A' ' 25' ' ' PHE . 7.9 p -53.07 -72.36 0.06 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.545 1.153 . . . . 0.0 110.394 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.435 ' N ' ' O ' ' A' ' 26' ' ' GLN . . . 120.55 2.74 11.68 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.496 1.122 . . . . 0.0 110.956 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.982 HD11 ' NE ' ' A' ' 55' ' ' ARG . 21.5 mt -62.5 150.76 8.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.443 0.731 . . . . 0.0 109.3 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 15.8 tt0 -97.47 -54.15 3.23 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.564 1.165 . . . . 0.0 110.289 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.0 m -66.53 93.76 0.25 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.523 1.14 . . . . 0.0 109.994 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' MET . . . . . 0.622 ' SD ' HD13 ' A' ' 22' ' ' LEU . 1.4 mmt -37.99 -43.46 0.72 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 111.005 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 28.7 m-20 -47.06 -53.99 11.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.547 1.154 . . . . 0.0 109.28 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 15.1 mt-30 -49.89 -36.32 26.91 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.506 1.129 . . . . 0.0 110.295 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.474 ' HB3' ' CD2' ' A' ' 22' ' ' LEU . 1.7 m -72.25 -72.75 0.22 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 108.334 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.417 ' HG3' ' CZ2' ' A' ' 46' ' ' TRP . 7.2 ttt180 -38.68 -29.99 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 110.279 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.445 ' N ' ' O ' ' A' ' 37' ' ' CYS . 3.3 t-80 -63.15 -66.93 0.47 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 109.622 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.944 HG22 ' HB1' ' A' ' 51' ' ' ALA . 1.2 m -50.3 -25.55 3.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.571 1.169 . . . . 0.0 110.419 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.444 HD21 HG12 ' A' ' 48' ' ' ILE . 13.6 mt -82.19 -69.07 0.65 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.482 1.114 . . . . 0.0 109.309 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -38.41 -47.67 1.27 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 110.294 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -50.52 -64.35 0.84 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 110.323 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.679 ' CE1' ' HB1' ' A' ' 50' ' ' ALA . 3.5 m-70 -67.55 -9.39 42.23 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.501 1.125 . . . . 0.0 109.557 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.554 ' CB ' ' O ' ' A' ' 44' ' ' HIS . 1.3 m-20 85.82 59.86 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.474 1.109 . . . . 0.0 109.291 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' TRP . . . . . 0.57 ' CE2' ' NE2' ' A' ' 18' ' ' GLN . 83.9 m95 43.52 62.82 1.75 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 108.012 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ASN . . . . . 0.455 ' O ' ' N ' ' A' ' 50' ' ' ALA . 1.5 m-20 -127.63 78.55 1.83 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 109.297 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.551 HG23 HG23 ' A' ' 52' ' ' VAL . 39.9 mt -41.66 -47.95 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.436 1.085 . . . . 0.0 109.307 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -48.49 -41.31 29.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 110.261 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.679 ' HB1' ' CE1' ' A' ' 44' ' ' HIS . . . -86.67 -54.86 4.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 109.326 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.944 ' HB1' HG22 ' A' ' 40' ' ' THR . . . -46.37 -49.75 17.4 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.554 1.159 . . . . 0.0 109.288 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.824 ' O ' HD12 ' A' ' 56' ' ' LEU . 39.4 t -53.06 -32.87 19.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.522 1.139 . . . . 0.0 109.243 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.455 ' N ' ' O ' ' A' ' 50' ' ' ALA . 0.8 OUTLIER -83.48 -67.25 0.81 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 110.286 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.459 ' HB2' ' CD2' ' A' ' 44' ' ' HIS . 23.8 t0 -40.11 -29.74 0.08 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.441 1.088 . . . . 0.0 109.252 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.982 ' NE ' HD11 ' A' ' 31' ' ' ILE . 1.2 tpt85 -71.99 -56.02 6.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 110.265 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.824 HD12 ' O ' ' A' ' 52' ' ' VAL . 0.5 OUTLIER -67.86 -45.12 75.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 0.0 109.255 -179.934 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 15.1 m-20 -63.51 -37.57 87.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.113 . . . . 0.0 109.318 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -125.22 79.83 1.83 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 110.338 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 14.5 pt20 -96.51 134.38 39.78 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.453 1.096 . . . . 0.0 110.31 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -83.7 88.07 7.06 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.512 1.132 . . . . 0.0 110.285 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -116.85 -99.85 2.12 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.491 1.119 . . . . 0.0 111.015 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.5 m -160.04 152.13 20.52 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 0.777 . . . . 0.0 110.018 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 134.09 78.93 0.12 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.495 1.122 . . . . 0.0 110.988 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 155.31 42.86 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.522 1.801 . . . . 0.0 111.032 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 30.1 t -82.99 160.24 22.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 110.014 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 7.8 t 62.23 85.83 0.12 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 109.996 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.976 0 O-C-N 124.493 1.121 . . . . 0.0 110.972 179.999 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.047 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.2 m -148.14 85.61 1.54 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.542 0.789 . . . . 0.0 110.0 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 38.3 m -97.71 -58.68 1.94 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.997 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -66.06 -132.86 0.02 OUTLIER Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.471 1.107 . . . . 0.0 110.983 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -118.18 -58.11 2.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 0.754 . . . . 0.0 110.006 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -175.17 141.89 0.59 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 110.002 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 69.61 177.41 18.1 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.508 1.13 . . . . 0.0 110.968 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -109.89 161.1 25.62 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.529 0.782 . . . . 0.0 109.299 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -90.21 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.514 1.797 . . . . 0.0 111.019 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -172.39 144.06 1.49 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 110.307 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -64.86 102.24 0.57 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 0.0 110.345 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 6.2 mtt85 -114.81 149.64 36.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.112 . . . . 0.0 110.341 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -98.81 152.99 19.11 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 109.303 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.493 HD21 HH21 ' A' ' 38' ' ' ARG . 23.5 mt -110.1 176.91 4.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 109.256 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.404 ' O ' ' C ' ' A' ' 16' ' ' GLN . 72.4 p -114.91 151.99 33.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 110.392 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.404 ' C ' ' O ' ' A' ' 15' ' ' THR . 0.0 OUTLIER -38.78 -59.71 0.92 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 0.0 110.298 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -43.12 -60.64 1.58 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.139 . . . . 0.0 110.304 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 45.8 mt-30 -55.45 -62.72 1.49 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.443 1.09 . . . . 0.0 110.318 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 24.4 m -41.76 -59.06 1.78 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 110.377 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -43.1 -62.14 1.12 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 0.0 110.338 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.494 ' O ' HD11 ' A' ' 48' ' ' ILE . 2.7 mttp -40.86 -47.98 3.02 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.448 1.092 . . . . 0.0 109.293 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.564 HD13 ' SD ' ' A' ' 34' ' ' MET . 0.4 OUTLIER -50.57 -59.03 4.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.315 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.457 HD23 ' N ' ' A' ' 23' ' ' LEU . 4.6 mt -41.87 -56.17 2.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 109.308 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.579 ' OE1' HD11 ' A' ' 28' ' ' LEU . 0.1 OUTLIER -46.51 -69.1 0.14 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 110.324 179.956 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.851 ' CZ ' HG21 ' A' ' 29' ' ' THR . 74.2 t80 -41.56 -60.73 1.23 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.472 1.107 . . . . 0.0 111.041 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.431 ' O ' ' N ' ' A' ' 30' ' ' GLY . 38.0 tt0 -40.67 -68.91 0.15 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.534 1.147 . . . . 0.0 110.326 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 11.1 t0 -43.02 -50.18 5.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 109.314 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.579 HD11 ' OE1' ' A' ' 24' ' ' GLN . 3.0 mt -58.01 -73.77 0.07 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.509 1.131 . . . . 0.0 109.298 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.851 HG21 ' CZ ' ' A' ' 25' ' ' PHE . 12.0 p -44.36 -64.24 0.72 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.517 1.136 . . . . 0.0 110.436 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.431 ' N ' ' O ' ' A' ' 26' ' ' GLN . . . 110.96 17.23 9.13 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.495 1.122 . . . . 0.0 111.056 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.919 HD11 ' NE ' ' A' ' 55' ' ' ARG . 32.5 mt -77.37 147.34 7.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.5 0.765 . . . . 0.0 109.328 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -87.49 -58.34 2.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 110.296 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 9.0 m -67.17 122.34 17.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 110.03 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' MET . . . . . 0.564 ' SD ' HD13 ' A' ' 22' ' ' LEU . 2.8 mmt -62.53 -47.24 84.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.546 1.154 . . . . 0.0 110.957 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 11.2 t0 -44.15 -52.25 7.45 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.552 1.158 . . . . 0.0 109.324 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 4.6 mm100 -52.78 -35.72 56.99 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.535 1.147 . . . . 0.0 110.351 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.47 ' HB3' ' CD2' ' A' ' 22' ' ' LEU . 1.7 m -72.51 -73.13 0.21 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.154 . . . . 0.0 108.3 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.493 HH21 HD21 ' A' ' 14' ' ' LEU . 0.4 OUTLIER -37.52 -31.91 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.565 1.166 . . . . 0.0 110.262 -179.978 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.447 ' N ' ' O ' ' A' ' 37' ' ' CYS . 13.2 t-160 -61.27 -64.21 1.03 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 0.0 109.597 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.8 HG22 ' HB1' ' A' ' 51' ' ' ALA . 1.3 m -51.99 -30.32 24.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 110.376 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.401 ' O ' ' C ' ' A' ' 42' ' ' GLU . 11.9 mt -77.36 -69.12 0.55 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 0.0 109.315 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.401 ' C ' ' O ' ' A' ' 41' ' ' LEU . 2.1 mm-40 -38.17 -45.92 1.0 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 0.0 110.333 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -49.79 -65.29 0.59 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 110.289 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.613 ' ND1' ' HB1' ' A' ' 50' ' ' ALA . 12.5 m-70 -67.56 -9.65 44.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.104 . . . . 0.0 109.592 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.573 ' CB ' ' O ' ' A' ' 44' ' ' HIS . 21.9 t30 87.37 57.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.146 . . . . 0.0 109.317 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 82.4 m95 46.06 61.71 2.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 107.997 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ASN . . . . . 0.456 ' O ' ' N ' ' A' ' 50' ' ' ALA . 2.9 m-20 -127.38 79.2 1.87 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.478 1.111 . . . . 0.0 109.253 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.523 ' O ' HG23 ' A' ' 52' ' ' VAL . 29.3 mt -40.39 -48.39 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.543 1.152 . . . . 0.0 109.305 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -48.12 -43.98 31.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 110.309 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.613 ' HB1' ' ND1' ' A' ' 44' ' ' HIS . . . -84.26 -54.81 4.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.293 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.8 ' HB1' HG22 ' A' ' 40' ' ' THR . . . -45.17 -49.26 12.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.53 1.143 . . . . 0.0 109.316 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.719 ' O ' HD12 ' A' ' 56' ' ' LEU . 37.7 t -51.75 -36.47 18.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 109.277 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.445 ' N ' ' O ' ' A' ' 50' ' ' ALA . 2.5 tp-100 -77.86 -65.64 0.94 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.144 . . . . 0.0 110.318 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.544 ' HB2' ' CD2' ' A' ' 44' ' ' HIS . 5.9 t70 -39.99 -30.22 0.09 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.535 1.147 . . . . 0.0 109.289 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.919 ' NE ' HD11 ' A' ' 31' ' ' ILE . 4.7 tpt85 -72.54 -56.5 5.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.133 . . . . 0.0 110.265 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.719 HD12 ' O ' ' A' ' 52' ' ' VAL . 0.5 OUTLIER -69.51 -12.77 61.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 109.346 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.433 ' N ' ' O ' ' A' ' 53' ' ' GLN . 1.0 OUTLIER -63.93 -50.43 68.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 109.283 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.401 ' C ' ' O ' ' A' ' 57' ' ' ASN . 0.4 OUTLIER 39.0 70.95 0.18 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.443 1.089 . . . . 0.0 110.283 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 6.9 mp0 55.09 -178.52 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.11 . . . . 0.0 110.286 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -87.4 117.98 26.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 110.304 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -50.16 164.09 0.7 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.502 1.126 . . . . 0.0 111.006 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 5.7 t -78.97 141.42 37.53 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 0.75 . . . . 0.0 110.009 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -62.28 176.67 6.17 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.55 1.156 . . . . 0.0 110.968 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 102.23 1.56 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.514 1.797 . . . . 0.0 110.971 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 73.1 m -158.44 88.97 0.95 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.135 . . . . 0.0 110.0 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 6.1 t 63.13 138.44 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.104 . . . . 0.0 109.973 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 O-C-N 124.455 1.097 . . . . 0.0 110.99 179.981 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.965 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -101.34 131.72 47.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.461 0.742 . . . . 0.0 109.95 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -89.93 -58.5 2.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 110.009 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 164.92 140.57 2.9 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.558 1.161 . . . . 0.0 110.946 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 28.3 t 61.56 105.41 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.463 0.743 . . . . 0.0 109.996 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -132.67 106.46 7.8 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.132 . . . . 0.0 110.019 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 127.07 -93.14 0.39 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.45 1.094 . . . . 0.0 110.979 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.47 ' HB1' ' HD2' ' A' ' 9' ' ' PRO . . . 58.67 163.59 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.497 0.763 . . . . 0.0 109.296 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.47 ' HD2' ' HB1' ' A' ' 8' ' ' ALA . 18.3 Cg_endo -74.97 59.32 5.14 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.466 1.772 . . . . 0.0 110.971 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 56.31 170.66 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.472 1.107 . . . . 0.0 110.291 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 62.4 mt-10 -61.71 140.82 58.15 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 110.316 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.55 164.24 15.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 110.29 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 61.6 160.44 0.06 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 109.291 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 8.8 mt -74.72 172.78 11.51 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.442 1.089 . . . . 0.0 109.287 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 19.7 p -97.5 149.08 22.57 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.499 1.124 . . . . 0.0 110.383 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -39.45 -59.14 1.13 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 0.0 110.308 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 31.4 mt-10 -46.55 -67.59 0.27 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 110.309 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 58.0 mt-30 -39.76 -62.79 0.66 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.517 1.136 . . . . 0.0 110.281 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 8.5 m -41.37 -56.7 2.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.127 . . . . 0.0 110.418 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -46.06 -57.87 4.09 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.553 1.158 . . . . 0.0 110.304 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.5 ' O ' HD11 ' A' ' 48' ' ' ILE . 1.4 mttt -44.43 -47.83 9.9 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.458 1.098 . . . . 0.0 109.267 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.503 HD11 ' HB2' ' A' ' 38' ' ' ARG . 0.2 OUTLIER -50.89 -57.28 8.88 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 109.26 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.457 HD23 ' N ' ' A' ' 23' ' ' LEU . 4.6 mt -43.62 -54.83 4.7 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.532 1.145 . . . . 0.0 109.311 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.585 ' C ' HD12 ' A' ' 28' ' ' LEU . 2.0 mt-30 -49.62 -67.86 0.23 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.448 1.093 . . . . 0.0 110.308 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.594 ' O ' HG23 ' A' ' 29' ' ' THR . 34.7 t80 -41.46 -60.56 1.26 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 110.996 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.443 ' O ' ' N ' ' A' ' 30' ' ' GLY . 25.0 tt0 -47.8 -72.56 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.149 . . . . 0.0 110.297 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.407 ' C ' ' O ' ' A' ' 26' ' ' GLN . 0.4 OUTLIER -40.09 -47.25 2.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.247 -179.922 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.585 HD12 ' C ' ' A' ' 24' ' ' GLN . 5.2 mt -60.67 -74.15 0.08 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.297 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.594 HG23 ' O ' ' A' ' 25' ' ' PHE . 69.8 p -48.1 -68.42 0.19 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 110.388 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 26' ' ' GLN . . . 116.85 13.53 7.82 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.533 1.146 . . . . 0.0 111.028 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.749 HD13 HH21 ' A' ' 55' ' ' ARG . 10.3 mt -71.95 96.95 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.536 0.786 . . . . 0.0 109.281 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.403 ' C ' ' O ' ' A' ' 31' ' ' ILE . 1.6 mt-10 -38.62 -62.68 0.58 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 110.338 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.8 m -54.99 131.77 45.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 109.945 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' MET . . . . . 0.404 ' O ' ' N ' ' A' ' 37' ' ' CYS . 1.7 tpt -75.94 -56.05 5.03 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.5 1.125 . . . . 0.0 110.965 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -48.11 -40.88 24.85 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 109.271 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 16.6 mm100 -57.79 -33.99 69.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.457 1.098 . . . . 0.0 110.313 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.488 ' HB3' HD21 ' A' ' 22' ' ' LEU . 0.8 OUTLIER -73.98 -73.84 0.21 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.113 . . . . 0.0 108.319 179.95 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.503 ' HB2' HD11 ' A' ' 22' ' ' LEU . 2.6 ttp180 -38.66 -38.75 0.43 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.542 1.151 . . . . 0.0 110.35 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 1.7 t-80 -46.32 -60.6 2.23 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.444 1.09 . . . . 0.0 109.635 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.656 HG21 ' HD3' ' A' ' 55' ' ' ARG . 1.8 m -56.61 -61.03 2.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 110.42 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.594 HD11 ' CB ' ' A' ' 25' ' ' PHE . 8.2 mt -42.18 -64.91 0.52 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 109.317 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.401 ' C ' ' O ' ' A' ' 41' ' ' LEU . 0.0 OUTLIER -38.09 -52.9 1.42 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 110.308 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -55.9 -57.42 12.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.567 1.167 . . . . 0.0 110.286 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.579 ' ND1' ' HB1' ' A' ' 50' ' ' ALA . 12.5 m-70 -62.76 -13.25 30.69 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.123 . . . . 0.0 109.593 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.56 ' CB ' ' O ' ' A' ' 44' ' ' HIS . 27.0 t30 86.8 42.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 0.0 109.312 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 91.6 m95 57.28 55.34 5.94 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.111 . . . . 0.0 108.004 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ASN . . . . . 0.437 ' O ' ' N ' ' A' ' 50' ' ' ALA . 1.0 OUTLIER -121.29 76.73 1.26 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 109.291 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.561 HG12 HD21 ' A' ' 41' ' ' LEU . 19.7 mt -39.34 -51.93 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 109.315 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -46.5 -46.33 19.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 110.3 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.579 ' HB1' ' ND1' ' A' ' 44' ' ' HIS . . . -79.49 -59.61 2.69 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.482 1.113 . . . . 0.0 109.288 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.493 ' HB1' HG22 ' A' ' 40' ' ' THR . . . -41.41 -51.38 3.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 109.31 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.79 ' O ' HD12 ' A' ' 56' ' ' LEU . 6.8 t -48.72 -55.34 3.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.293 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.491 ' O ' ' CB ' ' A' ' 57' ' ' ASN . 0.9 OUTLIER -60.74 -24.16 65.5 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.462 1.101 . . . . 0.0 110.268 -179.981 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.509 ' OD2' ' CD2' ' A' ' 44' ' ' HIS . 9.5 t0 -66.2 -25.13 66.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.318 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.749 HH21 HD13 ' A' ' 31' ' ' ILE . 1.9 mmm180 -93.6 -51.61 4.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 110.351 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.79 HD12 ' O ' ' A' ' 52' ' ' VAL . 1.8 mp -70.76 -15.5 62.68 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 0.0 109.294 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.491 ' CB ' ' O ' ' A' ' 53' ' ' GLN . 1.7 m-20 -45.69 -58.21 3.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.296 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER 43.76 63.4 1.59 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.143 . . . . 0.0 110.302 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.425 ' O ' ' N ' ' A' ' 61' ' ' GLY . 77.9 mt-30 54.6 78.31 0.17 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.528 1.142 . . . . 0.0 110.265 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 68.3 -68.01 0.18 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 110.332 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.425 ' N ' ' O ' ' A' ' 59' ' ' GLN . . . 106.58 -144.76 15.88 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.48 1.112 . . . . 0.0 110.973 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 6.4 t -87.51 138.63 31.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 0.785 . . . . 0.0 109.983 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 99.61 86.84 1.91 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.518 1.136 . . . . 0.0 110.965 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -40.23 0.95 Allowed 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.485 1.782 . . . . 0.0 110.995 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 28.4 t -131.32 118.29 20.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.143 . . . . 0.0 110.019 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 30.8 m 59.4 80.43 0.2 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.487 1.117 . . . . 0.0 110.003 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.956 0 O-C-N 124.51 1.131 . . . . 0.0 111.004 179.977 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 16.9 p . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 110.373 -0.232 . . . . 0.0 110.373 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -43.72 -61.42 1.42 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.562 1.164 . . . . 0.0 110.335 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 19.7 tt0 -43.73 -64.34 0.68 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.521 1.138 . . . . 0.0 110.265 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.483 ' NE2' ' CE2' ' A' ' 46' ' ' TRP . 69.0 mt-30 -47.96 -60.12 2.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.145 . . . . 0.0 110.329 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 7.7 m -39.67 -58.97 1.22 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 110.451 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -47.38 -55.63 8.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 110.285 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.546 ' O ' HD11 ' A' ' 48' ' ' ILE . 16.0 mttp -44.77 -48.43 10.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.296 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.601 HD13 ' HE2' ' A' ' 34' ' ' MET . 1.8 mt -51.49 -59.34 4.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 109.311 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.445 HD23 ' N ' ' A' ' 23' ' ' LEU . 5.0 mt -40.56 -52.9 2.8 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 0.0 109.279 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.559 ' OE1' HD11 ' A' ' 28' ' ' LEU . 0.0 OUTLIER -52.93 -68.02 0.2 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 110.309 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.684 ' CZ ' HG21 ' A' ' 29' ' ' THR . 51.3 t80 -44.97 -57.33 3.88 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 111.033 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.431 ' O ' ' N ' ' A' ' 30' ' ' GLY . 1.1 tt0 -42.81 -58.54 2.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.105 . . . . 0.0 110.298 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -55.85 -55.13 36.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.132 . . . . 0.0 109.309 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.559 HD11 ' OE1' ' A' ' 24' ' ' GLN . 3.1 mt -50.28 -69.15 0.12 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 109.242 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.684 HG21 ' CZ ' ' A' ' 25' ' ' PHE . 29.5 p -53.61 -71.36 0.07 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 110.41 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.431 ' N ' ' O ' ' A' ' 26' ' ' GLN . . . 115.36 13.87 8.66 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.517 1.136 . . . . 0.0 110.981 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 12.5 mt -70.1 149.32 10.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.507 0.769 . . . . 0.0 109.328 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 15.6 tt0 -92.3 -57.9 2.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 110.306 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.8 m -60.22 100.07 0.09 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.541 1.151 . . . . 0.0 110.012 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . 0.601 ' HE2' HD13 ' A' ' 22' ' ' LEU . 0.7 OUTLIER -44.26 -48.44 9.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 0.0 110.996 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -48.21 -53.32 17.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 109.331 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 9.8 mm100 -47.67 -43.49 26.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 0.0 110.282 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.465 ' HB3' ' CD2' ' A' ' 22' ' ' LEU . 1.3 m -60.72 -73.58 0.09 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 108.305 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.505 ' HG3' ' CZ2' ' A' ' 46' ' ' TRP . 4.9 ttp180 -40.52 -34.72 0.38 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.455 1.097 . . . . 0.0 110.284 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 8.9 t-160 -53.95 -70.4 0.1 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.134 . . . . 0.0 109.594 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.824 HG22 ' HB1' ' A' ' 51' ' ' ALA . 1.3 m -46.46 -33.85 4.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 0.0 110.419 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.428 HD21 ' CG1' ' A' ' 48' ' ' ILE . 7.9 mt -70.58 -68.38 0.43 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.12 . . . . 0.0 109.284 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.434 ' OE2' ' NE1' ' A' ' 46' ' ' TRP . 5.3 mm-40 -38.11 -50.62 1.39 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 110.288 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 1.3 mm-40 -50.26 -64.17 0.89 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.446 1.091 . . . . 0.0 110.337 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.821 ' CE1' ' HB1' ' A' ' 50' ' ' ALA . 3.7 m-70 -65.0 -11.83 43.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.579 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.538 ' CB ' ' O ' ' A' ' 44' ' ' HIS . 2.1 t-20 86.38 58.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.27 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . 0.505 ' CZ2' ' HG3' ' A' ' 38' ' ' ARG . 85.3 m95 43.93 58.74 3.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 107.985 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . 0.445 ' O ' ' N ' ' A' ' 50' ' ' ALA . 2.0 m-20 -124.92 75.92 1.48 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.108 . . . . 0.0 109.277 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.546 HD11 ' O ' ' A' ' 21' ' ' LYS . 64.7 mt -40.4 -48.38 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 109.323 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -46.8 -44.27 19.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.151 . . . . 0.0 110.312 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.821 ' HB1' ' CE1' ' A' ' 44' ' ' HIS . . . -85.83 -57.13 3.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 109.279 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.824 ' HB1' HG22 ' A' ' 40' ' ' THR . . . -42.34 -43.19 3.43 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 109.306 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.465 HG23 ' O ' ' A' ' 48' ' ' ILE . 13.5 t -57.31 -50.9 75.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.512 1.133 . . . . 0.0 109.295 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.538 1.149 . . . . 0.0 110.27 -179.956 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 34.9 p . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 110.398 -0.223 . . . . 0.0 110.398 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -39.08 -56.62 1.41 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 0.0 110.32 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -44.92 -59.93 2.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 110.297 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 72.3 mt-30 -49.21 -59.48 3.63 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 110.273 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 5.7 m -39.16 -59.46 1.01 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 0.0 110.412 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -45.23 -60.56 2.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.455 1.097 . . . . 0.0 110.334 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 7.8 mttm -40.43 -49.61 2.85 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 1.139 . . . . 0.0 109.305 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.471 HD13 ' CE ' ' A' ' 34' ' ' MET . 1.7 mt -50.38 -60.14 3.29 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 109.331 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.435 HD23 ' N ' ' A' ' 23' ' ' LEU . 4.9 mt -40.33 -51.94 2.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.152 . . . . 0.0 109.303 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -51.63 -67.91 0.21 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 110.286 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.617 ' CZ ' HG21 ' A' ' 29' ' ' THR . 70.2 t80 -49.39 -44.46 45.04 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.531 1.145 . . . . 0.0 111.004 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 -54.95 -42.63 72.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 110.337 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -70.73 -51.6 26.25 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.504 1.127 . . . . 0.0 109.315 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.7 mt -50.92 -68.59 0.16 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.45 1.094 . . . . 0.0 109.274 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.617 HG21 ' CZ ' ' A' ' 25' ' ' PHE . 70.0 p -57.63 -70.2 0.14 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.107 . . . . 0.0 110.369 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 113.58 21.3 5.82 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.46 1.1 . . . . 0.0 110.988 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 12.5 mt -73.94 156.1 6.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.491 0.759 . . . . 0.0 109.315 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -101.34 -51.7 3.42 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.485 1.116 . . . . 0.0 110.318 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 20.1 m -65.9 98.95 0.44 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.44 1.087 . . . . 0.0 109.966 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . 0.471 ' CE ' HD13 ' A' ' 22' ' ' LEU . 0.0 OUTLIER -44.32 -40.92 5.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 111.004 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -54.22 -50.25 67.57 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 0.0 109.292 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 12.3 mm100 -51.81 -39.77 59.32 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.133 . . . . 0.0 110.335 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.459 ' HB3' ' CD2' ' A' ' 22' ' ' LEU . 1.7 m -66.71 -73.72 0.13 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.555 1.16 . . . . 0.0 108.334 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -38.73 -34.3 0.14 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 110.299 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 3.5 t60 -59.0 -64.59 0.89 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.448 1.093 . . . . 0.0 109.611 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.86 HG22 ' HB1' ' A' ' 51' ' ' ALA . 1.6 m -50.85 -37.21 41.85 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 110.367 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 9.0 mt -70.09 -69.19 0.37 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.45 1.094 . . . . 0.0 109.285 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.439 ' OE2' ' NE1' ' A' ' 46' ' ' TRP . 7.4 mm-40 -38.77 -46.33 1.25 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.544 1.152 . . . . 0.0 110.305 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.07 -64.64 0.75 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 110.307 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.68 ' ND1' ' HB1' ' A' ' 50' ' ' ALA . 14.5 m-70 -68.28 -9.71 49.53 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.457 1.098 . . . . 0.0 109.583 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.56 ' CB ' ' O ' ' A' ' 44' ' ' HIS . 1.5 t30 86.55 58.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 0.0 109.335 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . 0.439 ' NE1' ' OE2' ' A' ' 42' ' ' GLU . 83.3 m95 45.25 59.82 3.33 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.515 1.134 . . . . 0.0 108.002 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . 0.449 ' O ' ' N ' ' A' ' 50' ' ' ALA . 1.1 m120 -126.67 78.07 1.76 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.291 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.453 HG23 HG23 ' A' ' 52' ' ' VAL . 63.1 mt -40.25 -49.13 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.108 . . . . 0.0 109.288 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -46.7 -44.45 18.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 110.279 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.68 ' HB1' ' ND1' ' A' ' 44' ' ' HIS . . . -84.97 -57.53 3.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 0.0 109.298 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.86 ' HB1' HG22 ' A' ' 40' ' ' THR . . . -42.2 -45.36 4.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 109.322 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.453 HG23 HG23 ' A' ' 48' ' ' ILE . 13.3 t -54.83 -47.74 74.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.261 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.418 ' N ' ' O ' ' A' ' 50' ' ' ALA . 2.4 mm-40 . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 110.284 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 74.1 p . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 110.411 -0.218 . . . . 0.0 110.411 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.3 tp60 -47.47 -60.43 2.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 110.299 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 -42.47 -62.16 1.04 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 0.0 110.278 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 12.9 mm-40 -48.35 -59.38 3.5 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.453 1.096 . . . . 0.0 110.302 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 23.5 m -42.56 -59.85 1.74 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 110.402 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -41.34 -59.11 1.64 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.546 1.153 . . . . 0.0 110.316 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.641 ' O ' HD11 ' A' ' 48' ' ' ILE . 0.8 OUTLIER -43.7 -47.03 7.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 109.252 -179.97 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.834 HD13 ' HE3' ' A' ' 34' ' ' MET . 1.1 mt -52.97 -59.44 4.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.137 . . . . 0.0 109.318 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.443 HD23 ' N ' ' A' ' 23' ' ' LEU . 5.0 mt -40.13 -52.49 2.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 109.308 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.474 ' C ' HD12 ' A' ' 28' ' ' LEU . 2.7 mm-40 -50.29 -67.88 0.22 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.479 1.112 . . . . 0.0 110.291 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.766 ' CZ ' HG21 ' A' ' 29' ' ' THR . 69.5 t80 -46.28 -60.19 2.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.553 1.158 . . . . 0.0 110.991 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.449 ' O ' ' N ' ' A' ' 30' ' ' GLY . 0.7 OUTLIER -40.95 -58.41 1.72 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.13 . . . . 0.0 110.264 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -55.43 -53.72 52.71 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 109.28 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.474 HD12 ' C ' ' A' ' 24' ' ' GLN . 3.6 mt -52.35 -67.85 0.22 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.142 . . . . 0.0 109.281 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.766 HG21 ' CZ ' ' A' ' 25' ' ' PHE . 34.5 p -54.47 -71.4 0.08 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 110.411 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 26' ' ' GLN . . . 112.77 10.66 16.0 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.496 1.123 . . . . 0.0 111.057 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.441 HG21 ' HB2' ' A' ' 36' ' ' GLN . 21.7 mt -61.97 153.71 5.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.513 0.772 . . . . 0.0 109.316 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 16.4 tt0 -99.54 -56.72 2.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 110.316 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.438 ' O ' ' N ' ' A' ' 36' ' ' GLN . 0.3 OUTLIER -62.86 90.8 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.996 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . 0.834 ' HE3' HD13 ' A' ' 22' ' ' LEU . 0.0 OUTLIER -38.01 -45.39 0.89 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 0.0 111.026 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -44.25 -47.08 9.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.128 . . . . 0.0 109.247 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.441 ' HB2' HG21 ' A' ' 31' ' ' ILE . 64.5 mt-30 -56.85 -47.51 80.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 110.311 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.48 ' HB3' ' CD2' ' A' ' 22' ' ' LEU . 6.1 m -51.83 -73.98 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 108.298 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -41.0 -38.58 1.0 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.491 1.12 . . . . 0.0 110.338 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 7.3 t-160 -54.84 -71.94 0.07 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.461 1.101 . . . . 0.0 109.576 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 1.025 HG22 ' HB1' ' A' ' 51' ' ' ALA . 1.4 m -42.39 -46.13 4.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.107 . . . . 0.0 110.428 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.418 HD21 HG12 ' A' ' 48' ' ' ILE . 16.6 mt -62.82 -72.01 0.15 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.477 1.111 . . . . 0.0 109.284 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.4 ' C ' ' O ' ' A' ' 41' ' ' LEU . 1.8 mm-40 -38.03 -44.89 0.85 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 110.343 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 1.5 mm-40 -50.68 -62.57 1.52 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 110.323 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.625 ' ND1' ' HB1' ' A' ' 50' ' ' ALA . 12.6 m-70 -71.37 -9.6 58.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.598 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.576 ' CB ' ' O ' ' A' ' 44' ' ' HIS . 11.3 t-20 87.7 57.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.117 . . . . 0.0 109.332 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 85.0 m95 46.72 56.72 6.25 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.515 1.135 . . . . 0.0 108.001 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . 0.441 ' O ' ' N ' ' A' ' 50' ' ' ALA . 2.2 m-20 -123.56 78.0 1.55 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.12 . . . . 0.0 109.291 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.641 HD11 ' O ' ' A' ' 21' ' ' LYS . 56.2 mt -39.49 -52.1 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.554 1.159 . . . . 0.0 109.301 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -45.44 -45.25 12.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.457 1.098 . . . . 0.0 110.268 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.625 ' HB1' ' ND1' ' A' ' 44' ' ' HIS . . . -82.56 -58.48 2.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.283 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 1.025 ' HB1' HG22 ' A' ' 40' ' ' THR . . . -41.55 -49.21 4.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.452 1.095 . . . . 0.0 109.285 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 5.9 t -51.88 -46.14 40.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.521 1.138 . . . . 0.0 109.274 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.434 ' N ' ' O ' ' A' ' 50' ' ' ALA . 10.6 mm-40 . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 110.328 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 69.2 p . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 110.381 -0.229 . . . . 0.0 110.381 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -47.01 -58.43 3.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 0.0 110.294 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -43.35 -62.99 0.9 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 0.0 110.278 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 54.0 mt-30 -47.92 -60.89 2.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.457 1.098 . . . . 0.0 110.328 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.7 m -39.53 -60.82 0.89 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.446 1.091 . . . . 0.0 110.4 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -41.65 -61.12 1.15 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.493 1.121 . . . . 0.0 110.307 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 8.0 mttp -40.95 -50.27 3.27 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.114 . . . . 0.0 109.312 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.47 ' CD2' ' HB3' ' A' ' 37' ' ' CYS . 1.1 mt -49.5 -59.29 3.88 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.149 . . . . 0.0 109.293 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.444 HD23 ' N ' ' A' ' 23' ' ' LEU . 5.1 mt -40.79 -54.72 2.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 109.313 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 3.9 mm-40 -50.19 -67.95 0.21 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 0.0 110.303 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.717 ' CZ ' HG21 ' A' ' 29' ' ' THR . 72.4 t80 -46.46 -46.43 18.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 111.063 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 6.1 tt0 -54.06 -44.31 70.98 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.11 . . . . 0.0 110.335 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -68.87 -47.23 66.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 109.3 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.9 mt -57.0 -66.54 0.43 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.122 . . . . 0.0 109.322 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.717 HG21 ' CZ ' ' A' ' 25' ' ' PHE . 60.9 p -57.61 -69.0 0.18 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.428 1.08 . . . . 0.0 110.369 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 110.26 23.01 6.23 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.482 1.114 . . . . 0.0 111.032 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 14.5 mt -77.89 153.5 5.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.478 0.752 . . . . 0.0 109.31 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -96.64 -55.96 2.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 110.295 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.9 m -62.72 97.03 0.09 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 109.965 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -41.33 -50.33 3.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 111.004 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -45.4 -53.3 8.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.149 . . . . 0.0 109.305 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 10.2 mm100 -48.34 -40.82 26.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 110.292 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.47 ' HB3' ' CD2' ' A' ' 22' ' ' LEU . 1.3 m -66.42 -73.38 0.13 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 108.301 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.4 ' C ' ' O ' ' A' ' 37' ' ' CYS . 18.1 ttp180 -38.64 -35.38 0.19 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 110.273 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 3.9 t60 -57.32 -64.27 0.94 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 109.62 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.834 HG22 ' HB1' ' A' ' 51' ' ' ALA . 2.3 m -50.01 -41.45 47.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 110.385 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.454 HD21 HG12 ' A' ' 48' ' ' ILE . 7.6 mt -66.54 -69.74 0.29 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.134 . . . . 0.0 109.33 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -38.93 -46.1 1.27 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.448 1.092 . . . . 0.0 110.289 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -50.85 -63.36 1.15 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.125 . . . . 0.0 110.243 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.681 ' ND1' ' HB1' ' A' ' 50' ' ' ALA . 9.5 m-70 -68.96 -9.6 52.98 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 109.6 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.565 ' CB ' ' O ' ' A' ' 44' ' ' HIS . 11.2 t-20 87.02 58.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.302 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 85.0 m95 44.53 60.89 2.65 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 108.023 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . 0.453 ' O ' ' N ' ' A' ' 50' ' ' ALA . 2.4 m-20 -128.57 78.36 1.84 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.478 1.111 . . . . 0.0 109.303 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.56 ' O ' HG23 ' A' ' 52' ' ' VAL . 43.7 mt -40.43 -48.18 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 0.0 109.347 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -47.4 -44.18 24.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 110.286 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.681 ' HB1' ' ND1' ' A' ' 44' ' ' HIS . . . -85.68 -57.19 3.15 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.476 1.11 . . . . 0.0 109.322 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.834 ' HB1' HG22 ' A' ' 40' ' ' THR . . . -42.95 -43.94 4.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.557 1.161 . . . . 0.0 109.304 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.56 HG23 ' O ' ' A' ' 48' ' ' ILE . 24.9 t -56.78 -51.31 68.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 0.0 109.289 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.452 1.095 . . . . 0.0 110.258 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.4 ' O ' ' C ' ' A' ' 16' ' ' GLN . 82.5 p . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 110.413 -0.217 . . . . 0.0 110.413 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.4 ' C ' ' O ' ' A' ' 15' ' ' THR . 0.0 OUTLIER -38.97 -61.77 0.71 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 110.277 -179.952 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -45.7 -61.23 1.8 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 110.276 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.565 ' OE1' ' CE3' ' A' ' 46' ' ' TRP . 13.2 mm-40 -46.3 -63.49 0.98 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.45 1.094 . . . . 0.0 110.306 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 3.2 m -41.27 -61.72 0.98 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 110.455 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -40.19 -61.57 0.87 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 110.355 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.448 ' O ' HD11 ' A' ' 48' ' ' ILE . 7.1 mttm -40.64 -51.16 3.03 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.511 1.132 . . . . 0.0 109.292 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.452 ' CD2' ' HB3' ' A' ' 37' ' ' CYS . 1.5 mt -49.71 -59.83 3.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 0.0 109.311 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.439 HD23 ' N ' ' A' ' 23' ' ' LEU . 4.7 mt -40.15 -50.67 2.67 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 109.308 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.58 -67.86 0.22 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.13 . . . . 0.0 110.313 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.755 ' CZ ' HG21 ' A' ' 29' ' ' THR . 55.8 t80 -46.66 -58.59 3.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 111.023 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.452 ' O ' ' N ' ' A' ' 30' ' ' GLY . 1.0 OUTLIER -41.78 -57.49 2.32 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 110.35 179.969 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -55.66 -56.47 20.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 109.319 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 3.6 mt -50.67 -68.55 0.16 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.444 1.09 . . . . 0.0 109.28 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.755 HG21 ' CZ ' ' A' ' 25' ' ' PHE . 27.7 p -52.88 -70.93 0.08 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 0.0 110.411 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.452 ' N ' ' O ' ' A' ' 26' ' ' GLN . . . 113.39 9.51 17.26 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.519 1.137 . . . . 0.0 110.974 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 12.3 mt -66.94 128.02 29.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.545 0.791 . . . . 0.0 109.275 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -73.32 -38.83 65.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 110.306 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.2 m -74.55 128.97 36.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 0.0 109.978 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 1.8 tpt -71.52 -50.75 28.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 111.012 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -47.98 -45.14 31.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 109.316 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 37.2 mt-30 -58.11 -37.33 74.36 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.136 . . . . 0.0 110.244 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.452 ' HB3' ' CD2' ' A' ' 22' ' ' LEU . 11.1 m -67.75 -73.68 0.14 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.135 . . . . 0.0 108.295 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 2.8 ttm180 -44.83 -33.06 1.79 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.434 1.084 . . . . 0.0 110.303 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 3.1 t60 -57.75 -63.83 1.11 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.628 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.852 HG22 ' HB1' ' A' ' 51' ' ' ALA . 1.4 m -52.15 -38.26 57.07 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.521 1.138 . . . . 0.0 110.422 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.522 HD21 ' CG1' ' A' ' 48' ' ' ILE . 8.9 mt -68.26 -68.1 0.42 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.118 . . . . 0.0 109.302 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -39.54 -46.96 1.83 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 110.291 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -50.87 -63.23 1.19 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.471 1.107 . . . . 0.0 110.334 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.542 ' O ' ' CB ' ' A' ' 45' ' ' ASN . 8.2 m-70 -67.63 -9.59 44.49 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.561 1.163 . . . . 0.0 109.592 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.542 ' CB ' ' O ' ' A' ' 44' ' ' HIS . 32.8 t30 86.74 57.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 109.301 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . 0.565 ' CE3' ' OE1' ' A' ' 18' ' ' GLN . 85.6 m95 45.35 57.72 4.66 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . 0.438 ' O ' ' N ' ' A' ' 50' ' ' ALA . 1.2 m120 -124.16 75.19 1.35 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.543 1.152 . . . . 0.0 109.338 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.522 ' CG1' HD21 ' A' ' 41' ' ' LEU . 89.0 mt -39.54 -51.62 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.482 1.114 . . . . 0.0 109.326 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -44.7 -44.9 9.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.455 1.097 . . . . 0.0 110.292 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.54 ' HB1' ' ND1' ' A' ' 44' ' ' HIS . . . -84.49 -57.25 3.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 109.311 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.852 ' HB1' HG22 ' A' ' 40' ' ' THR . . . -41.56 -46.13 3.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.1 . . . . 0.0 109.304 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 7.6 t -56.19 -51.46 62.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 109.293 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.104 . . . . 0.0 110.275 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 73.0 p . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 110.435 -0.209 . . . . 0.0 110.435 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 11.1 mp0 -41.3 -58.1 1.93 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 110.328 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -43.06 -61.37 1.32 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 110.336 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 82.1 mt-30 -49.37 -57.58 6.65 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 110.277 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 19.9 m -41.5 -60.78 1.21 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.54 1.15 . . . . 0.0 110.39 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -42.39 -62.06 1.05 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 0.0 110.278 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.447 ' O ' HD11 ' A' ' 48' ' ' ILE . 2.5 mttp -40.46 -50.52 2.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.327 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.481 HD22 ' SD ' ' A' ' 34' ' ' MET . 1.6 mt -49.67 -58.63 4.92 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.524 1.14 . . . . 0.0 109.332 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.444 HD23 ' N ' ' A' ' 23' ' ' LEU . 5.0 mt -41.8 -51.6 4.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 109.285 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.594 ' C ' HD12 ' A' ' 28' ' ' LEU . 0.0 OUTLIER -52.32 -68.5 0.16 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 0.0 110.24 -179.96 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.68 ' CZ ' HG21 ' A' ' 29' ' ' THR . 54.4 t80 -46.14 -57.64 4.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.109 . . . . 0.0 110.949 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.451 ' O ' ' N ' ' A' ' 30' ' ' GLY . 0.8 OUTLIER -42.96 -58.85 2.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 110.306 -179.974 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -55.84 -53.46 56.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.151 . . . . 0.0 109.327 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.594 HD12 ' C ' ' A' ' 24' ' ' GLN . 2.9 mt -51.34 -68.46 0.17 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 109.299 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.68 HG21 ' CZ ' ' A' ' 25' ' ' PHE . 36.1 p -55.41 -71.16 0.09 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.139 . . . . 0.0 110.459 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.451 ' N ' ' O ' ' A' ' 26' ' ' GLN . . . 113.46 17.56 7.54 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.504 1.127 . . . . 0.0 110.999 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 13.9 mt -72.5 128.0 34.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.51 0.771 . . . . 0.0 109.339 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -67.3 -65.74 0.65 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.493 1.121 . . . . 0.0 110.337 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.2 m -56.92 100.71 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 110.052 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . 0.481 ' SD ' HD22 ' A' ' 22' ' ' LEU . 0.0 OUTLIER -49.96 -36.85 29.6 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 110.982 -179.97 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -51.52 -50.3 60.25 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.501 1.126 . . . . 0.0 109.286 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 19.3 mt-30 -53.2 -45.66 68.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 110.265 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.471 ' HB3' ' CD2' ' A' ' 22' ' ' LEU . 2.0 m -53.25 -73.8 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 108.329 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -39.96 -35.96 0.42 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.49 1.119 . . . . 0.0 110.32 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 4.5 t-160 -54.41 -70.62 0.09 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.445 1.091 . . . . 0.0 109.614 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.877 HG22 ' HB1' ' A' ' 51' ' ' ALA . 1.4 m -44.95 -43.92 9.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 110.392 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.532 HD21 HG12 ' A' ' 48' ' ' ILE . 12.8 mt -62.61 -69.67 0.25 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.544 1.153 . . . . 0.0 109.298 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -38.73 -48.11 1.45 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.119 . . . . 0.0 110.321 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 5.6 mt-30 -50.97 -63.1 1.24 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 110.313 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.815 ' CE1' ' HB1' ' A' ' 50' ' ' ALA . 2.2 m-70 -67.79 -9.45 44.29 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.472 1.107 . . . . 0.0 109.628 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.527 ' CB ' ' O ' ' A' ' 44' ' ' HIS . 4.9 m-20 85.51 58.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.551 1.157 . . . . 0.0 109.319 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 84.7 m95 43.89 59.73 3.02 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . 0.446 ' O ' ' N ' ' A' ' 50' ' ' ALA . 1.9 m-20 -126.56 75.63 1.56 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 109.326 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.532 HG12 HD21 ' A' ' 41' ' ' LEU . 70.6 mt -39.73 -51.42 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 109.289 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -44.51 -44.21 8.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 0.0 110.288 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.815 ' HB1' ' CE1' ' A' ' 44' ' ' HIS . . . -85.58 -56.78 3.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.338 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.877 ' HB1' HG22 ' A' ' 40' ' ' THR . . . -41.87 -44.95 3.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 109.275 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.404 HG23 HG23 ' A' ' 48' ' ' ILE . 9.5 t -57.76 -53.81 39.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.51 1.132 . . . . 0.0 109.249 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.144 . . . . 0.0 110.296 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 71.1 p . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 110.384 -0.228 . . . . 0.0 110.384 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 8.7 mt-30 -46.27 -59.74 2.74 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 110.275 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -43.81 -62.38 1.13 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.516 1.135 . . . . 0.0 110.254 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 35.7 mt-30 -50.82 -60.49 3.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 110.29 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 11.8 m -38.88 -57.53 1.22 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.49 1.119 . . . . 0.0 110.4 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -43.61 -59.2 2.29 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.476 1.11 . . . . 0.0 110.262 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.8 mttt -42.51 -48.86 5.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 109.289 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.728 HD13 ' CE ' ' A' ' 34' ' ' MET . 1.7 mt -51.58 -60.16 3.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.281 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.451 HD23 ' N ' ' A' ' 23' ' ' LEU . 4.3 mt -40.29 -49.41 2.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 109.282 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -53.69 -67.37 0.26 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.141 . . . . 0.0 110.355 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.639 ' HZ ' HG21 ' A' ' 40' ' ' THR . 57.5 t80 -49.89 -44.5 50.07 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 0.0 110.983 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -55.31 -43.85 75.25 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.465 1.103 . . . . 0.0 110.287 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -67.61 -51.79 46.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 109.303 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.2 mt -53.1 -73.24 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.5 1.125 . . . . 0.0 109.279 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.631 HG21 ' CZ ' ' A' ' 25' ' ' PHE . 61.3 p -51.62 -68.49 0.17 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.486 1.116 . . . . 0.0 110.371 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.414 ' N ' ' OG1' ' A' ' 29' ' ' THR . . . 111.46 13.06 13.62 Favored Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.522 1.139 . . . . 0.0 111.015 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 12.3 mt -68.75 125.45 26.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.548 0.793 . . . . 0.0 109.268 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -72.08 -40.44 68.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 110.334 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -73.61 105.14 4.81 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 110.02 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . 0.728 ' CE ' HD13 ' A' ' 22' ' ' LEU . 0.0 OUTLIER -52.56 -49.32 65.15 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.525 1.141 . . . . 0.0 111.038 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 26.5 m-20 -46.74 -51.33 16.46 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.537 1.148 . . . . 0.0 109.274 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 15.7 mt-30 -51.03 -45.69 61.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 110.257 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.466 ' HB3' ' CD2' ' A' ' 22' ' ' LEU . 1.7 m -57.2 -73.77 0.06 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.128 . . . . 0.0 108.232 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 6.4 ttt180 -38.49 -40.5 0.57 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 110.262 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 10.5 t-160 -50.15 -67.02 0.29 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.496 1.123 . . . . 0.0 109.56 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.91 HG22 ' HB1' ' A' ' 51' ' ' ALA . 1.5 m -48.42 -47.62 37.74 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.465 1.103 . . . . 0.0 110.383 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.673 HD21 ' CG1' ' A' ' 48' ' ' ILE . 9.8 mt -58.43 -69.15 0.2 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.561 1.163 . . . . 0.0 109.332 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -38.59 -47.07 1.27 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.13 . . . . 0.0 110.319 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -50.98 -63.1 1.24 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.545 1.153 . . . . 0.0 110.275 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.7 ' CE1' ' HB1' ' A' ' 50' ' ' ALA . 4.6 m-70 -67.67 -9.67 45.47 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 0.0 109.566 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.55 ' CB ' ' O ' ' A' ' 44' ' ' HIS . 33.7 t30 87.11 56.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 0.0 109.326 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 86.2 m95 46.52 56.84 5.99 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . 0.442 ' O ' ' N ' ' A' ' 50' ' ' ALA . 1.4 m120 -124.81 75.15 1.4 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 0.0 109.269 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.673 ' CG1' HD21 ' A' ' 41' ' ' LEU . 91.7 mt -40.65 -49.45 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.516 1.135 . . . . 0.0 109.308 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -45.75 -42.85 12.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.443 1.089 . . . . 0.0 110.278 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.7 ' HB1' ' CE1' ' A' ' 44' ' ' HIS . . . -87.62 -56.9 3.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.448 1.093 . . . . 0.0 109.322 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.91 ' HB1' HG22 ' A' ' 40' ' ' THR . . . -42.85 -43.36 4.01 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.499 1.124 . . . . 0.0 109.285 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.476 HG23 HG23 ' A' ' 48' ' ' ILE . 16.9 t -57.47 -53.68 41.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.275 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 4.0 mm-40 . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.147 . . . . 0.0 110.327 179.986 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 10.6 p . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 110.424 -0.213 . . . . 0.0 110.424 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -40.81 -60.97 1.04 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 110.276 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -45.41 -61.71 1.56 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.524 1.14 . . . . 0.0 110.339 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.507 ' OE1' ' CD2' ' A' ' 46' ' ' TRP . 10.6 mm100 -47.8 -64.06 0.89 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.51 1.131 . . . . 0.0 110.268 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 3.0 m -41.8 -60.53 1.34 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 110.404 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -39.83 -60.58 0.98 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 110.287 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.7 mttt -42.08 -54.36 3.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.456 1.097 . . . . 0.0 109.276 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.432 ' CD2' ' HB3' ' A' ' 37' ' ' CYS . 1.2 mt -46.09 -56.67 5.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 109.234 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.437 HD23 ' N ' ' A' ' 23' ' ' LEU . 5.5 mt -42.76 -58.76 2.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.32 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.411 ' C ' HD12 ' A' ' 28' ' ' LEU . 0.0 OUTLIER -46.67 -67.25 0.3 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 110.293 179.958 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.705 ' CZ ' HG21 ' A' ' 29' ' ' THR . 81.1 t80 -45.78 -58.52 3.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 111.002 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.424 ' O ' ' N ' ' A' ' 30' ' ' GLY . 1.0 OUTLIER -43.97 -59.52 2.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 110.311 179.964 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -50.65 -46.97 58.69 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.517 1.135 . . . . 0.0 109.263 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.411 HD12 ' C ' ' A' ' 24' ' ' GLN . 3.4 mt -58.49 -74.83 0.06 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.542 1.151 . . . . 0.0 109.299 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.705 HG21 ' CZ ' ' A' ' 25' ' ' PHE . 71.9 p -48.18 -66.09 0.46 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.477 1.11 . . . . 0.0 110.413 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.424 ' N ' ' O ' ' A' ' 26' ' ' GLN . . . 110.15 5.44 28.62 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.471 1.107 . . . . 0.0 110.975 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 10.2 mt -55.4 155.5 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.537 0.786 . . . . 0.0 109.316 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -98.74 -54.94 2.87 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.566 1.166 . . . . 0.0 110.292 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -67.38 104.64 1.57 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.496 1.123 . . . . 0.0 110.033 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . 0.403 ' HE2' HD13 ' A' ' 22' ' ' LEU . 0.0 OUTLIER -47.29 -42.51 21.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 111.014 -179.967 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -47.39 -57.76 4.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.107 . . . . 0.0 109.327 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -45.99 -46.04 16.14 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.464 1.102 . . . . 0.0 110.328 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.432 ' HB3' ' CD2' ' A' ' 22' ' ' LEU . 8.4 m -58.96 -73.81 0.08 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.143 . . . . 0.0 108.319 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.419 ' HG3' ' CH2' ' A' ' 46' ' ' TRP . 10.2 ttp-105 -43.02 -33.4 0.81 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 110.33 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 13.3 t-160 -61.89 -60.43 3.64 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.499 1.124 . . . . 0.0 109.631 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.878 HG22 ' HB1' ' A' ' 51' ' ' ALA . 1.0 OUTLIER -55.28 -18.11 5.74 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 110.427 179.946 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.45 ' O ' ' N ' ' A' ' 44' ' ' HIS . 9.3 mt -90.82 -67.83 0.83 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.118 . . . . 0.0 109.316 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -39.13 -43.67 1.08 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 110.318 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . 0.511 ' CG ' ' N ' ' A' ' 44' ' ' HIS . 7.7 pt20 -55.79 -47.02 77.83 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.448 1.093 . . . . 0.0 110.266 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.819 ' ND1' ' HB1' ' A' ' 50' ' ' ALA . 71.8 m-70 -83.99 -9.2 58.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.14 . . . . 0.0 109.564 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.544 ' CB ' ' O ' ' A' ' 44' ' ' HIS . 4.2 m120 85.54 46.25 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 109.26 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . 0.507 ' CD2' ' OE1' ' A' ' 18' ' ' GLN . 87.1 m95 56.78 56.59 5.34 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.538 1.149 . . . . 0.0 107.998 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . 0.449 ' O ' ' N ' ' A' ' 50' ' ' ALA . 2.3 m-20 -121.26 79.79 1.57 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.122 . . . . 0.0 109.312 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.526 HG23 ' CG2' ' A' ' 52' ' ' VAL . 32.7 mt -40.68 -47.18 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 109.301 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -49.66 -44.61 47.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.142 . . . . 0.0 110.272 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.819 ' HB1' ' ND1' ' A' ' 44' ' ' HIS . . . -82.59 -55.46 4.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.292 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.878 ' HB1' HG22 ' A' ' 40' ' ' THR . . . -45.69 -51.53 12.27 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.465 1.103 . . . . 0.0 109.309 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.526 ' CG2' HG23 ' A' ' 48' ' ' ILE . 39.4 t -51.05 -46.81 31.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 109.288 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 9.8 mm-40 . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 110.274 -179.998 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 7.1 p . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 110.416 -0.216 . . . . 0.0 110.416 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 8.2 mt-30 -41.73 -59.68 1.59 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 110.294 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -41.58 -62.24 0.92 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.451 1.094 . . . . 0.0 110.29 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 59.7 mt-30 -46.92 -60.34 2.5 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.511 1.132 . . . . 0.0 110.262 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.9 m -41.75 -55.11 3.11 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.466 1.104 . . . . 0.0 110.38 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -47.97 -60.81 2.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 110.309 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.599 ' O ' HD11 ' A' ' 48' ' ' ILE . 2.6 mttt -41.53 -46.65 3.59 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.531 1.145 . . . . 0.0 109.317 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.547 HD22 ' HE2' ' A' ' 34' ' ' MET . 1.5 mt -52.68 -59.71 4.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 109.276 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.443 HD23 ' N ' ' A' ' 23' ' ' LEU . 5.0 mt -40.68 -52.41 2.93 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 109.336 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.631 ' NE2' HD11 ' A' ' 28' ' ' LEU . 4.5 mm100 -52.61 -68.19 0.19 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 110.305 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.54 ' CZ ' HG21 ' A' ' 29' ' ' THR . 37.2 t80 -45.78 -57.48 4.25 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.47 1.106 . . . . 0.0 111.022 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.452 ' O ' ' N ' ' A' ' 30' ' ' GLY . 1.0 OUTLIER -43.45 -58.64 2.5 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.113 . . . . 0.0 110.315 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -55.06 -56.55 18.52 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 109.28 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.631 HD11 ' NE2' ' A' ' 24' ' ' GLN . 3.3 mt -48.02 -71.78 0.06 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.442 1.089 . . . . 0.0 109.282 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.54 HG21 ' CZ ' ' A' ' 25' ' ' PHE . 24.1 p -53.45 -70.64 0.09 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.459 1.099 . . . . 0.0 110.404 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.452 ' N ' ' O ' ' A' ' 26' ' ' GLN . . . 115.11 18.2 6.42 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.528 1.142 . . . . 0.0 111.017 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 14.4 mt -69.91 147.23 11.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.492 0.76 . . . . 0.0 109.315 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 26.5 mm-40 -91.04 -58.34 2.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 110.252 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.75 103.78 0.47 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.49 1.119 . . . . 0.0 110.026 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . 0.547 ' HE2' HD22 ' A' ' 22' ' ' LEU . 2.1 tpt -44.89 -45.53 10.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.55 1.156 . . . . 0.0 110.992 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -50.92 -55.41 17.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.446 1.091 . . . . 0.0 109.319 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 9.6 mm100 -44.96 -37.57 4.09 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.524 1.14 . . . . 0.0 110.278 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.463 ' HB3' ' CD2' ' A' ' 22' ' ' LEU . 1.1 m -69.36 -73.65 0.15 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.533 1.146 . . . . 0.0 108.294 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.503 ' HG3' ' CZ2' ' A' ' 46' ' ' TRP . 27.5 ttp180 -40.3 -30.21 0.1 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.459 1.099 . . . . 0.0 110.278 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.412 ' N ' ' C ' ' A' ' 37' ' ' CYS . 8.6 t-160 -59.9 -68.28 0.3 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.454 1.096 . . . . 0.0 109.572 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.808 HG22 ' HB1' ' A' ' 51' ' ' ALA . 1.2 m -49.78 -32.69 14.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 110.359 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.406 ' O ' ' N ' ' A' ' 45' ' ' ASN . 12.4 mt -72.84 -68.1 0.51 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 109.293 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -39.07 -48.33 1.64 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.53 1.144 . . . . 0.0 110.307 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -50.76 -63.64 1.06 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.512 1.133 . . . . 0.0 110.291 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.765 ' CE1' ' HB1' ' A' ' 50' ' ' ALA . 2.6 m-70 -67.25 -9.89 45.11 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.537 1.148 . . . . 0.0 109.576 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.526 ' CB ' ' O ' ' A' ' 44' ' ' HIS . 7.3 m-20 85.25 58.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 109.294 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . 0.503 ' CZ2' ' HG3' ' A' ' 38' ' ' ARG . 81.5 m95 43.62 62.32 1.94 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 108.016 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . 0.446 ' O ' ' N ' ' A' ' 50' ' ' ALA . 1.2 m120 -127.74 76.76 1.7 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.511 1.132 . . . . 0.0 109.297 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.599 HD11 ' O ' ' A' ' 21' ' ' LYS . 57.6 mt -40.08 -49.68 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.548 1.155 . . . . 0.0 109.345 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -46.37 -44.57 17.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.125 . . . . 0.0 110.264 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.765 ' HB1' ' CE1' ' A' ' 44' ' ' HIS . . . -84.69 -57.64 3.04 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 109.284 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.808 ' HB1' HG22 ' A' ' 40' ' ' THR . . . -40.77 -43.59 2.03 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.561 1.163 . . . . 0.0 109.314 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 9.4 t -62.69 -48.97 85.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.538 1.149 . . . . 0.0 109.29 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.433 ' N ' ' O ' ' A' ' 50' ' ' ALA . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.103 . . . . 0.0 110.282 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 10.4 p . . . . . 0 N--CA 1.452 -0.34 0 N-CA-C 110.449 -0.204 . . . . 0.0 110.449 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -39.77 -61.5 0.83 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 110.277 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -44.07 -64.98 0.57 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 110.296 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 77.2 mt-30 -48.43 -61.01 2.23 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.556 1.16 . . . . 0.0 110.285 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 15.5 m -41.77 -60.87 1.23 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.144 . . . . 0.0 110.362 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -43.81 -61.32 1.46 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 0.0 110.311 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 10.3 mttp -40.5 -57.03 1.92 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.29 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.472 HD22 ' HE3' ' A' ' 34' ' ' MET . 1.5 mt -43.6 -56.86 3.46 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.465 1.103 . . . . 0.0 109.306 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.433 HD23 ' N ' ' A' ' 23' ' ' LEU . 5.7 mt -42.54 -61.46 1.22 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 109.291 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.435 ' C ' HD12 ' A' ' 28' ' ' LEU . 0.0 OUTLIER -46.1 -62.73 1.21 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 110.266 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.552 ' CZ ' HG21 ' A' ' 29' ' ' THR . 77.6 t80 -51.98 -43.98 63.82 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.491 1.119 . . . . 0.0 111.013 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 7.7 tt0 -59.38 -40.52 86.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.148 . . . . 0.0 110.281 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -71.17 -41.56 70.23 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.555 1.159 . . . . 0.0 109.315 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.435 HD12 ' C ' ' A' ' 24' ' ' GLN . 2.7 mt -62.36 -64.46 0.92 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 109.272 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.552 HG21 ' CZ ' ' A' ' 25' ' ' PHE . 41.5 p -58.37 -73.77 0.07 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.443 1.089 . . . . 0.0 110.379 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 116.46 14.37 7.6 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.499 1.124 . . . . 0.0 111.035 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 11.0 mt -67.31 157.03 6.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.491 0.759 . . . . 0.0 109.275 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -100.27 -48.77 4.48 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 0.0 110.289 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 18.3 m -72.27 103.56 3.42 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 110.009 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . 0.472 ' HE3' HD22 ' A' ' 22' ' ' LEU . 0.1 OUTLIER -46.77 -45.39 19.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 110.987 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -45.47 -59.36 2.75 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.464 1.102 . . . . 0.0 109.338 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 13.1 mm100 -43.44 -43.14 5.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 110.25 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.461 ' HB3' ' CD2' ' A' ' 22' ' ' LEU . 3.0 m -66.72 -73.8 0.13 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.562 1.164 . . . . 0.0 108.321 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -40.12 -32.55 0.18 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.142 . . . . 0.0 110.283 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 10.4 t-160 -64.72 -60.1 3.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.574 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.855 HG22 ' HB1' ' A' ' 51' ' ' ALA . 1.0 OUTLIER -56.22 -17.92 8.83 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.458 1.099 . . . . 0.0 110.396 -179.973 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.456 ' O ' ' N ' ' A' ' 44' ' ' HIS . 8.5 mt -91.23 -66.15 0.95 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.273 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -41.97 -42.48 2.83 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 110.288 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . 0.415 ' HG3' ' N ' ' A' ' 44' ' ' HIS . 1.9 pt20 -57.13 -41.57 79.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 110.292 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.8 ' ND1' ' HB1' ' A' ' 50' ' ' ALA . 62.3 m-70 -88.07 -9.5 53.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.655 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.577 ' CB ' ' O ' ' A' ' 44' ' ' HIS . 21.9 t30 88.18 36.99 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.494 1.121 . . . . 0.0 109.324 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 85.7 m95 65.08 52.51 1.5 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 108.024 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . 0.447 ' O ' ' N ' ' A' ' 50' ' ' ALA . 0.8 OUTLIER -116.8 81.12 1.58 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.281 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.573 ' O ' HG23 ' A' ' 52' ' ' VAL . 35.7 mt -41.66 -46.03 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.438 1.086 . . . . 0.0 109.316 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -50.12 -43.17 51.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 110.328 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.8 ' HB1' ' ND1' ' A' ' 44' ' ' HIS . . . -84.57 -54.94 4.4 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 109.262 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.855 ' HB1' HG22 ' A' ' 40' ' ' THR . . . -46.4 -50.04 17.18 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 109.341 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.573 HG23 ' O ' ' A' ' 48' ' ' ILE . 41.0 t -51.41 -38.69 20.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 109.302 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.448 ' O ' ' NE2' ' A' ' 53' ' ' GLN . 9.3 tp60 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 110.278 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 15.3 p . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 110.394 -0.225 . . . . 0.0 110.394 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 18.3 mt-30 -44.5 -53.25 7.17 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 0.0 110.339 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -47.98 -60.97 2.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 110.309 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.401 ' NE2' ' NE1' ' A' ' 46' ' ' TRP . 72.8 mt-30 -49.09 -57.67 6.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 110.296 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 19.2 m -40.93 -60.5 1.17 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 110.395 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -45.88 -59.27 2.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.104 . . . . 0.0 110.323 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.628 ' O ' HD11 ' A' ' 48' ' ' ILE . 1.0 OUTLIER -42.11 -46.12 4.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.546 1.154 . . . . 0.0 109.326 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.503 ' HA ' HD23 ' A' ' 22' ' ' LEU . 0.9 OUTLIER -53.56 -59.9 4.0 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.477 1.111 . . . . 0.0 109.32 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.448 HD23 ' N ' ' A' ' 23' ' ' LEU . 4.8 mt -40.83 -49.1 3.16 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.128 . . . . 0.0 109.308 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.635 ' NE2' HD11 ' A' ' 28' ' ' LEU . 0.0 OUTLIER -54.69 -67.75 0.24 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 110.262 -179.973 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.626 ' CZ ' HG21 ' A' ' 29' ' ' THR . 26.8 t80 -45.95 -57.65 4.22 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.142 . . . . 0.0 110.965 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -46.89 -59.39 3.11 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 110.296 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -52.54 -47.26 66.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.57 1.169 . . . . 0.0 109.349 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.635 HD11 ' NE2' ' A' ' 24' ' ' GLN . 4.8 mt -61.69 -78.07 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.564 1.165 . . . . 0.0 109.311 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.626 HG21 ' CZ ' ' A' ' 25' ' ' PHE . 81.9 p -43.09 -61.45 1.31 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 110.383 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 105.4 7.51 37.16 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.472 1.108 . . . . 0.0 110.994 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.446 HG22 ' O ' ' A' ' 33' ' ' SER . 22.0 mt -58.02 129.94 20.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.535 0.785 . . . . 0.0 109.292 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.414 ' HG3' ' N ' ' A' ' 33' ' ' SER . 8.1 pt-20 -77.81 -31.05 51.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 110.304 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.446 ' O ' HG22 ' A' ' 31' ' ' ILE . 0.4 OUTLIER -85.58 115.17 23.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.557 1.161 . . . . 0.0 110.003 -179.976 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . 0.481 ' HE2' HD13 ' A' ' 22' ' ' LEU . 2.4 tpt -58.25 -53.56 56.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 110.995 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -46.78 -50.77 17.72 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 109.297 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 10.3 mm100 -49.97 -44.53 50.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.132 . . . . 0.0 110.287 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.477 ' HB3' ' CD2' ' A' ' 22' ' ' LEU . 1.2 m -58.64 -73.64 0.08 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.104 . . . . 0.0 108.26 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.408 ' HG3' ' CH2' ' A' ' 46' ' ' TRP . 32.4 ttp180 -40.91 -38.41 0.95 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 110.332 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 9.8 t-160 -50.78 -71.08 0.07 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 109.579 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.975 HG22 ' HB1' ' A' ' 51' ' ' ALA . 1.2 m -44.75 -44.63 9.41 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.536 1.147 . . . . 0.0 110.38 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.544 HD21 ' CG1' ' A' ' 48' ' ' ILE . 15.0 mt -61.01 -69.97 0.21 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.45 1.094 . . . . 0.0 109.275 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -38.23 -46.46 1.08 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.512 1.133 . . . . 0.0 110.296 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 2.7 mm-40 -51.37 -61.46 2.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 110.354 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.787 ' CE1' ' HB1' ' A' ' 50' ' ' ALA . 2.3 m-70 -70.69 -9.18 56.56 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.538 1.149 . . . . 0.0 109.624 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.547 ' CB ' ' O ' ' A' ' 44' ' ' HIS . 1.6 m-20 85.67 58.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.122 . . . . 0.0 109.302 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . 0.408 ' CH2' ' HG3' ' A' ' 38' ' ' ARG . 85.1 m95 45.32 61.83 2.41 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 0.0 108.043 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . 0.448 ' O ' ' N ' ' A' ' 50' ' ' ALA . 3.5 m-20 -129.99 75.31 1.64 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.543 1.152 . . . . 0.0 109.279 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.628 HD11 ' O ' ' A' ' 21' ' ' LYS . 76.4 mt -40.74 -49.03 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 0.0 109.281 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.406 ' O ' ' CD ' ' A' ' 53' ' ' GLN . 1.1 mm-40 -46.22 -42.56 14.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 110.322 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.787 ' HB1' ' CE1' ' A' ' 44' ' ' HIS . . . -87.62 -56.56 3.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.279 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.975 ' HB1' HG22 ' A' ' 40' ' ' THR . . . -43.27 -42.46 4.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.112 . . . . 0.0 109.267 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.475 HG23 HG23 ' A' ' 48' ' ' ILE . 22.7 t -60.39 -44.77 96.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 109.28 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.447 ' N ' ' O ' ' A' ' 50' ' ' ALA . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 110.319 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 7.1 p . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 110.412 -0.218 . . . . 0.0 110.412 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -38.96 -61.5 0.73 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 110.319 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -44.4 -58.33 3.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 110.284 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 14.5 mm100 -50.3 -63.47 1.11 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 110.329 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.9 m -42.13 -44.27 3.6 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.478 1.111 . . . . 0.0 110.409 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.411 ' HG2' ' N ' ' A' ' 21' ' ' LYS . 0.0 OUTLIER -56.44 -46.66 80.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 110.284 -179.968 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.728 ' O ' HD11 ' A' ' 48' ' ' ILE . 8.6 mttp -56.03 -36.54 68.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.249 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.848 HD22 ' HE2' ' A' ' 34' ' ' MET . 2.5 mt -62.98 -57.03 12.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.322 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.433 HD23 ' N ' ' A' ' 23' ' ' LEU . 4.9 mt -41.52 -50.3 3.98 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 0.0 109.314 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.521 ' C ' HD12 ' A' ' 28' ' ' LEU . 0.9 OUTLIER -52.7 -68.03 0.2 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.502 1.126 . . . . 0.0 110.29 -179.959 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.83 ' CZ ' HG21 ' A' ' 29' ' ' THR . 59.8 t80 -48.01 -58.6 4.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 110.97 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.435 ' O ' ' N ' ' A' ' 30' ' ' GLY . 1.1 tt0 -40.87 -57.77 1.87 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 110.265 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -56.15 -56.24 23.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.316 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.521 HD12 ' C ' ' A' ' 24' ' ' GLN . 2.8 mt -50.71 -68.54 0.16 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.276 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.83 HG21 ' CZ ' ' A' ' 25' ' ' PHE . 27.2 p -52.7 -71.27 0.07 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 110.348 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.435 ' N ' ' O ' ' A' ' 26' ' ' GLN . . . 114.86 12.75 9.89 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.508 1.13 . . . . 0.0 111.031 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 18.5 mt -70.06 148.54 11.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.482 0.754 . . . . 0.0 109.304 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -92.34 -58.1 2.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 110.297 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.97 106.78 0.75 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 109.99 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . 0.848 ' HE2' HD22 ' A' ' 22' ' ' LEU . 2.4 tpt -49.29 -41.62 38.7 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.46 1.1 . . . . 0.0 110.974 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -51.08 -49.52 60.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 109.297 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 13.8 mt-30 -53.12 -41.05 64.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.12 . . . . 0.0 110.282 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.47 ' HB3' ' CD2' ' A' ' 22' ' ' LEU . 3.3 m -65.65 -73.86 0.12 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 108.261 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 21.5 ttt180 -39.41 -33.93 0.18 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 0.0 110.291 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 3.9 t60 -60.2 -64.77 0.83 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.603 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.723 HG22 ' HB1' ' A' ' 51' ' ' ALA . 2.5 m -49.96 -36.01 26.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 110.421 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 8.4 mt -72.11 -69.79 0.37 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 109.326 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.42 ' HG2' ' NE1' ' A' ' 46' ' ' TRP . 3.1 mm-40 -38.9 -43.32 0.94 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 110.29 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.21 -61.06 2.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.1 . . . . 0.0 110.311 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.722 ' ND1' ' HB1' ' A' ' 50' ' ' ALA . 5.1 m-70 -70.81 -9.61 57.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.096 . . . . 0.0 109.594 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.551 ' CB ' ' O ' ' A' ' 44' ' ' HIS . 10.3 t-20 87.26 57.17 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.536 1.148 . . . . 0.0 109.307 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . 0.42 ' NE1' ' HG2' ' A' ' 42' ' ' GLU . 85.5 m95 45.71 60.46 3.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.106 . . . . 0.0 108.018 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . 0.443 ' O ' ' N ' ' A' ' 50' ' ' ALA . 1.3 m-20 -127.48 76.64 1.68 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.131 . . . . 0.0 109.29 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.728 HD11 ' O ' ' A' ' 21' ' ' LYS . 58.1 mt -39.03 -51.07 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.472 1.108 . . . . 0.0 109.322 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -45.83 -46.49 15.6 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 110.286 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.722 ' HB1' ' ND1' ' A' ' 44' ' ' HIS . . . -82.0 -56.69 3.8 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 109.271 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.723 ' HB1' HG22 ' A' ' 40' ' ' THR . . . -42.08 -49.41 4.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 109.292 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 13.6 t -51.05 -44.93 29.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.302 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.433 ' N ' ' O ' ' A' ' 50' ' ' ALA . 0.9 OUTLIER . . . . . 0 C--N 1.324 -0.519 0 O-C-N 124.537 1.148 . . . . 0.0 110.27 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.435 ' OG1' ' N ' ' A' ' 16' ' ' GLN . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 110.386 -0.227 . . . . 0.0 110.386 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.435 ' N ' ' OG1' ' A' ' 15' ' ' THR . 1.6 tm0? -54.79 -18.99 5.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.454 1.096 . . . . 0.0 110.323 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -79.67 -61.74 1.9 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.514 1.134 . . . . 0.0 110.32 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 14.3 mm100 -45.45 -54.76 6.94 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.533 1.146 . . . . 0.0 110.3 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 17.6 m -44.28 -55.11 5.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 110.389 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -44.48 -59.85 2.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.442 1.089 . . . . 0.0 110.294 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.621 ' O ' HD11 ' A' ' 48' ' ' ILE . 0.3 OUTLIER -44.18 -44.7 7.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.427 1.08 . . . . 0.0 109.317 179.975 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.461 ' CD2' ' HB3' ' A' ' 37' ' ' CYS . 0.8 OUTLIER -55.43 -59.0 5.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.434 1.084 . . . . 0.0 109.278 -179.976 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.438 HD23 ' N ' ' A' ' 23' ' ' LEU . 5.3 mt -40.36 -50.04 2.81 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.432 1.083 . . . . 0.0 109.333 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.86 -67.49 0.25 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 110.233 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.631 ' HZ ' HG21 ' A' ' 40' ' ' THR . 38.1 t80 -47.66 -52.11 19.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.455 1.097 . . . . 0.0 110.999 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -54.03 -41.3 67.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 110.279 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -71.78 -36.37 70.33 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.461 1.101 . . . . 0.0 109.299 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 3.8 mt -69.68 -63.78 1.01 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.509 1.131 . . . . 0.0 109.317 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.554 HG21 ' CZ ' ' A' ' 25' ' ' PHE . 28.3 p -62.98 -72.16 0.14 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 110.372 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 114.54 16.35 7.64 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.512 1.133 . . . . 0.0 110.974 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.554 HG21 ' HB3' ' A' ' 36' ' ' GLN . 18.0 mt -68.9 127.42 30.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.529 0.782 . . . . 0.0 109.306 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.86 -52.17 27.13 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.465 1.103 . . . . 0.0 110.304 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -63.56 113.12 3.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.098 . . . . 0.0 110.002 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.53 -49.24 78.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 111.002 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -50.23 -42.21 51.35 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.128 . . . . 0.0 109.273 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.554 ' HB3' HG21 ' A' ' 31' ' ' ILE . 10.4 mt-30 -59.55 -31.09 69.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.107 . . . . 0.0 110.284 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.461 ' HB3' ' CD2' ' A' ' 22' ' ' LEU . 1.6 m -75.62 -74.02 0.23 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 108.296 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.475 ' HG3' ' CZ2' ' A' ' 46' ' ' TRP . 35.3 ttp180 -40.04 -30.21 0.09 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 110.295 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.414 ' N ' ' C ' ' A' ' 37' ' ' CYS . 8.9 t60 -61.53 -69.73 0.23 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 109.614 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.994 HG22 ' HB1' ' A' ' 51' ' ' ALA . 1.2 m -46.3 -31.94 2.84 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 110.37 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.498 HD21 HG12 ' A' ' 48' ' ' ILE . 19.7 mt -76.34 -70.53 0.44 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 109.326 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.411 ' HG2' ' NE1' ' A' ' 46' ' ' TRP . 2.4 mm-40 -38.9 -43.44 0.95 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 110.311 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -49.69 -65.87 0.49 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.505 1.128 . . . . 0.0 110.255 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.616 ' CE1' ' HB1' ' A' ' 50' ' ' ALA . 2.2 m-70 -69.16 -9.43 52.84 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 109.639 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.589 ' CB ' ' O ' ' A' ' 44' ' ' HIS . 23.9 t30 88.76 59.89 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 109.292 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . 0.475 ' CZ2' ' HG3' ' A' ' 38' ' ' ARG . 82.8 m95 44.87 62.81 1.94 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 107.979 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . 0.464 ' O ' ' N ' ' A' ' 50' ' ' ALA . 0.8 OUTLIER -129.8 76.92 1.76 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 109.302 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.621 HD11 ' O ' ' A' ' 21' ' ' LYS . 49.1 mt -39.71 -51.44 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 109.306 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -45.96 -43.46 14.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 110.278 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.616 ' HB1' ' CE1' ' A' ' 44' ' ' HIS . . . -84.05 -58.1 2.91 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.526 1.141 . . . . 0.0 109.276 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.994 ' HB1' HG22 ' A' ' 40' ' ' THR . . . -41.77 -46.4 3.85 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.31 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 14.0 t -59.86 -45.72 94.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.455 1.097 . . . . 0.0 109.279 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.444 ' N ' ' O ' ' A' ' 50' ' ' ALA . 2.9 mm-40 . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 110.327 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 12.7 p . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 110.373 -0.232 . . . . 0.0 110.373 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 22.5 mp0 -38.41 -57.48 1.13 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.544 1.152 . . . . 0.0 110.312 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -45.64 -59.95 2.47 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.537 1.148 . . . . 0.0 110.332 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.517 ' NE2' ' CE2' ' A' ' 46' ' ' TRP . 73.6 mt-30 -58.54 -59.73 4.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 110.309 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 18.0 m -42.08 -60.64 1.36 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.143 . . . . 0.0 110.398 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -48.64 -60.43 2.72 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.556 1.16 . . . . 0.0 110.3 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.577 ' O ' HD11 ' A' ' 48' ' ' ILE . 1.4 mttm -40.23 -48.94 2.67 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.53 1.144 . . . . 0.0 109.321 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.471 ' CD2' ' HB3' ' A' ' 37' ' ' CYS . 2.5 mt -50.84 -60.24 3.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 109.339 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.438 HD23 ' N ' ' A' ' 23' ' ' LEU . 4.7 mt -40.46 -51.33 2.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.322 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.662 ' NE2' HD11 ' A' ' 28' ' ' LEU . 4.2 mm100 -52.94 -67.97 0.21 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.494 1.121 . . . . 0.0 110.303 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.639 ' CZ ' HG21 ' A' ' 29' ' ' THR . 60.8 t80 -49.5 -51.9 33.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 111.017 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 4.9 tt0 -52.2 -38.65 58.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 110.319 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -72.91 -49.63 28.51 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 109.264 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.662 HD11 ' NE2' ' A' ' 24' ' ' GLN . 2.8 mt -57.2 -64.26 0.94 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.514 1.134 . . . . 0.0 109.327 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.639 HG21 ' CZ ' ' A' ' 25' ' ' PHE . 67.4 p -59.71 -69.27 0.22 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.449 1.093 . . . . 0.0 110.403 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 108.99 24.96 5.81 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.496 1.122 . . . . 0.0 110.985 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 20.7 mt -75.83 134.69 28.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.505 0.767 . . . . 0.0 109.271 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -74.19 -60.86 2.07 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 110.255 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 19.9 m -64.58 111.65 2.81 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.553 1.158 . . . . 0.0 110.01 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . 0.467 ' HE2' HD13 ' A' ' 22' ' ' LEU . 0.1 OUTLIER -55.64 -38.76 69.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.143 . . . . 0.0 110.973 -179.963 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -50.43 -49.26 55.35 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.142 . . . . 0.0 109.283 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 14.6 mt-30 -53.54 -42.83 67.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 110.346 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.471 ' HB3' ' CD2' ' A' ' 22' ' ' LEU . 1.8 m -61.42 -73.44 0.1 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.454 1.096 . . . . 0.0 108.312 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 6.7 ttp180 -38.73 -33.48 0.11 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.132 . . . . 0.0 110.271 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 9.2 t-160 -59.29 -70.12 0.17 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.595 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 1.01 HG22 ' HB1' ' A' ' 51' ' ' ALA . 1.4 m -46.21 -36.15 5.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 110.423 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.497 HD21 HG12 ' A' ' 48' ' ' ILE . 12.5 mt -71.12 -70.21 0.32 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.467 1.104 . . . . 0.0 109.25 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -38.36 -47.42 1.23 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.541 1.15 . . . . 0.0 110.317 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -50.41 -64.08 0.92 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.479 1.112 . . . . 0.0 110.336 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.733 ' ND1' ' HB1' ' A' ' 50' ' ' ALA . 4.4 m-70 -68.81 -9.59 52.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.133 . . . . 0.0 109.604 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.543 ' CB ' ' O ' ' A' ' 44' ' ' HIS . 4.4 m120 85.34 60.69 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 0.0 109.286 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . 0.517 ' CE2' ' NE2' ' A' ' 18' ' ' GLN . 81.3 m95 42.91 62.19 1.87 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 107.995 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . 0.44 ' O ' ' N ' ' A' ' 50' ' ' ALA . 2.6 m-20 -128.61 75.74 1.66 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 109.276 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.577 HD11 ' O ' ' A' ' 21' ' ' LYS . 11.2 mt -39.87 -48.81 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.454 1.096 . . . . 0.0 109.274 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -47.37 -45.76 25.29 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.547 1.154 . . . . 0.0 110.308 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.733 ' HB1' ' ND1' ' A' ' 44' ' ' HIS . . . -83.39 -57.08 3.4 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.442 1.088 . . . . 0.0 109.285 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 1.01 ' HB1' HG22 ' A' ' 40' ' ' THR . . . -42.27 -46.14 4.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.45 1.094 . . . . 0.0 109.294 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.496 HG23 ' O ' ' A' ' 48' ' ' ILE . 22.4 t -55.5 -45.54 78.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.538 1.149 . . . . 0.0 109.337 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.445 ' N ' ' O ' ' A' ' 50' ' ' ALA . 70.4 mm-40 . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 110.308 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 43.6 p . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 110.373 -0.232 . . . . 0.0 110.373 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -43.72 -56.77 3.58 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.533 1.146 . . . . 0.0 110.318 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -42.03 -64.54 0.57 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.535 1.147 . . . . 0.0 110.296 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 86.7 mt-30 -50.83 -59.17 4.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 110.328 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.401 ' O ' ' C ' ' A' ' 20' ' ' GLU . 5.2 m -41.87 -65.51 0.44 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 110.392 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.401 ' C ' ' O ' ' A' ' 19' ' ' THR . 2.9 tt0 -39.0 -61.99 0.68 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.443 1.09 . . . . 0.0 110.3 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 7.1 mttt -41.68 -60.03 1.47 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.439 1.087 . . . . 0.0 109.318 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.466 ' CD2' ' HB3' ' A' ' 37' ' ' CYS . 1.1 mt -41.57 -54.15 3.28 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.488 1.118 . . . . 0.0 109.304 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.432 HD23 ' N ' ' A' ' 23' ' ' LEU . 5.8 mt -44.47 -63.42 0.9 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 0.0 109.291 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.544 ' NE2' HD11 ' A' ' 28' ' ' LEU . 0.0 OUTLIER -45.56 -63.88 0.85 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 110.249 -179.972 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.732 ' CZ ' HG21 ' A' ' 29' ' ' THR . 80.6 t80 -45.04 -59.75 2.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 111.02 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.442 ' O ' ' N ' ' A' ' 30' ' ' GLY . 1.0 OUTLIER -42.94 -59.15 2.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 0.0 110.298 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -51.9 -42.04 62.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 109.332 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.544 HD11 ' NE2' ' A' ' 24' ' ' GLN . 3.3 mt -63.94 -62.95 1.31 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 109.341 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.732 HG21 ' CZ ' ' A' ' 25' ' ' PHE . 74.6 p -62.71 -76.32 0.06 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.537 1.148 . . . . 0.0 110.395 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.442 ' N ' ' O ' ' A' ' 26' ' ' GLN . . . 116.59 14.01 7.72 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.463 1.102 . . . . 0.0 111.038 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.46 HG21 ' HB3' ' A' ' 36' ' ' GLN . 16.1 mt -67.8 135.81 27.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.428 0.723 . . . . 0.0 109.295 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -76.01 -61.0 2.08 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.543 1.152 . . . . 0.0 110.264 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -60.97 103.32 0.26 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.553 1.158 . . . . 0.0 110.055 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -47.19 -49.31 23.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 111.027 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -42.87 -55.97 3.46 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.46 1.1 . . . . 0.0 109.279 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.46 ' HB3' HG21 ' A' ' 31' ' ' ILE . 6.6 mt-30 -45.38 -42.82 10.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 110.331 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.466 ' HB3' ' CD2' ' A' ' 22' ' ' LEU . 1.3 m -65.71 -73.79 0.12 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.145 . . . . 0.0 108.264 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.422 ' HG3' ' CZ2' ' A' ' 46' ' ' TRP . 22.1 ttt180 -40.77 -29.97 0.11 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.135 . . . . 0.0 110.284 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.412 ' N ' ' C ' ' A' ' 37' ' ' CYS . 5.8 t60 -65.93 -55.38 17.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 109.616 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.867 HG22 ' HB1' ' A' ' 51' ' ' ALA . 1.0 OUTLIER -60.75 -18.21 53.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 110.413 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.453 ' O ' ' N ' ' A' ' 44' ' ' HIS . 9.3 mt -91.27 -65.01 1.05 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.101 . . . . 0.0 109.297 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -42.26 -42.54 3.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 110.29 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . 0.41 ' HG3' ' N ' ' A' ' 44' ' ' HIS . 11.3 pt20 -57.53 -41.26 80.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 110.265 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.796 ' ND1' ' HB1' ' A' ' 50' ' ' ALA . 54.6 m-70 -87.87 -9.45 53.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 109.614 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.575 ' CB ' ' O ' ' A' ' 44' ' ' HIS . 20.2 t30 88.04 36.38 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 109.295 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . 0.422 ' CZ2' ' HG3' ' A' ' 38' ' ' ARG . 88.4 m95 65.84 52.19 1.3 Allowed 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . 0.448 ' O ' ' N ' ' A' ' 50' ' ' ALA . 1.2 m-20 -116.7 81.98 1.72 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.565 1.166 . . . . 0.0 109.265 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.59 HG23 HG23 ' A' ' 52' ' ' VAL . 43.4 mt -43.18 -46.93 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.112 . . . . 0.0 109.316 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -49.01 -38.71 24.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.546 1.154 . . . . 0.0 110.326 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.796 ' HB1' ' ND1' ' A' ' 44' ' ' HIS . . . -89.46 -56.07 3.4 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 109.279 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.867 ' HB1' HG22 ' A' ' 40' ' ' THR . . . -45.55 -45.84 13.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 109.29 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.59 HG23 HG23 ' A' ' 48' ' ' ILE . 37.6 t -54.54 -37.89 40.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.546 1.154 . . . . 0.0 109.326 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.446 ' N ' ' O ' ' A' ' 50' ' ' ALA . 11.1 tp60 . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 110.311 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 65.8 p . . . . . 0 N--CA 1.454 -0.271 0 N-CA-C 110.382 -0.229 . . . . 0.0 110.382 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 30.2 mt-30 -39.14 -59.47 1.01 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.546 1.154 . . . . 0.0 110.281 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -43.32 -61.77 1.25 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 110.297 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 75.6 mt-30 -49.45 -59.78 3.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.55 1.156 . . . . 0.0 110.295 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 19.4 m -41.05 -64.93 0.48 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.477 1.111 . . . . 0.0 110.429 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -39.56 -58.42 1.29 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 110.279 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 15.2 mttp -43.39 -59.68 2.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 0.0 109.293 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.468 ' CD2' ' HB3' ' A' ' 37' ' ' CYS . 1.3 mt -41.68 -54.3 3.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 109.3 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.436 HD23 ' N ' ' A' ' 23' ' ' LEU . 5.7 mt -44.55 -63.38 0.91 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 109.265 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -45.03 -67.54 0.28 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.501 1.125 . . . . 0.0 110.301 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.551 ' CZ ' HG21 ' A' ' 29' ' ' THR . 88.5 t80 -46.69 -45.17 19.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 110.967 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 -59.46 -45.73 90.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.456 1.098 . . . . 0.0 110.298 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -63.21 -41.64 99.18 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.556 1.16 . . . . 0.0 109.283 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.3 mt -66.0 -58.18 6.1 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 0.0 109.306 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.551 HG21 ' CZ ' ' A' ' 25' ' ' PHE . 41.3 p -63.41 -73.12 0.12 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 110.442 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 110.67 21.41 6.82 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.48 1.112 . . . . 0.0 111.022 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 35.1 mt -74.8 128.68 36.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.484 0.755 . . . . 0.0 109.301 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -71.95 -39.15 69.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 110.31 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 5.5 m -80.01 107.41 12.77 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.461 1.101 . . . . 0.0 110.009 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.56 -52.8 60.95 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.143 . . . . 0.0 111.025 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -44.22 -52.06 7.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 0.0 109.351 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 8.1 mm100 -48.28 -42.44 30.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 110.309 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.468 ' HB3' ' CD2' ' A' ' 22' ' ' LEU . 1.2 m -66.68 -73.12 0.14 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.484 1.115 . . . . 0.0 108.332 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.453 ' HB2' HD11 ' A' ' 22' ' ' LEU . 5.5 ttm180 -38.63 -33.48 0.11 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.436 1.085 . . . . 0.0 110.313 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -63.51 -54.66 32.87 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.538 1.149 . . . . 0.0 109.597 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.706 HG22 ' HB1' ' A' ' 51' ' ' ALA . 1.0 OUTLIER -61.26 -16.67 47.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 110.412 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.452 ' O ' ' N ' ' A' ' 44' ' ' HIS . 8.8 mt -91.61 -62.34 1.45 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 109.319 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.421 ' HG2' ' NE1' ' A' ' 46' ' ' TRP . 0.4 OUTLIER -45.78 -41.53 10.97 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 110.287 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . 0.485 ' HG3' ' CD2' ' A' ' 44' ' ' HIS . 11.8 pt20 -57.97 -32.86 68.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 110.274 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.793 ' ND1' ' HB1' ' A' ' 50' ' ' ALA . 61.0 m-70 -97.58 -9.53 26.8 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 109.609 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.56 ' CB ' ' O ' ' A' ' 44' ' ' HIS . 16.5 t30 88.15 35.38 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.278 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . 0.421 ' NE1' ' HG2' ' A' ' 42' ' ' GLU . 88.6 m95 66.17 52.11 1.19 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.527 1.142 . . . . 0.0 107.993 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . 0.454 ' O ' ' N ' ' A' ' 50' ' ' ALA . 1.3 m-20 -115.96 81.63 1.63 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 0.0 109.272 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.551 HG23 HG23 ' A' ' 52' ' ' VAL . 43.9 mt -41.71 -46.89 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 0.0 109.335 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -48.94 -42.43 37.33 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 110.299 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.793 ' HB1' ' ND1' ' A' ' 44' ' ' HIS . . . -85.69 -55.01 4.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.47 1.106 . . . . 0.0 109.279 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.706 ' HB1' HG22 ' A' ' 40' ' ' THR . . . -45.78 -48.5 15.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 109.283 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.551 HG23 HG23 ' A' ' 48' ' ' ILE . 41.9 t -56.66 -45.87 82.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.291 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 14.8 mm-40 . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 110.319 179.994 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 62.6 p . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 110.426 -0.212 . . . . 0.0 110.426 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -44.3 -60.64 1.83 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.532 1.145 . . . . 0.0 110.286 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -40.83 -64.39 0.54 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 110.309 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 61.7 mt-30 -51.25 -59.13 4.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 110.294 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 5.2 m -42.56 -60.94 1.35 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 110.432 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -39.03 -55.39 1.58 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.123 . . . . 0.0 110.282 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 4.9 mttp -47.25 -54.55 10.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 0.0 109.338 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.968 HD22 ' SD ' ' A' ' 34' ' ' MET . 0.6 OUTLIER -46.49 -56.2 6.34 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.477 1.11 . . . . 0.0 109.333 179.965 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.438 HD23 ' N ' ' A' ' 23' ' ' LEU . 5.4 mt -41.78 -60.51 1.35 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 109.296 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.52 ' O ' HD12 ' A' ' 28' ' ' LEU . 0.1 OUTLIER -45.95 -63.23 1.03 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.131 . . . . 0.0 110.29 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.63 ' CZ ' HG21 ' A' ' 29' ' ' THR . 64.0 t80 -44.86 -58.07 3.35 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 110.995 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.4 ' O ' ' C ' ' A' ' 27' ' ' ASP . 37.0 tt0 -44.91 -69.55 0.13 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 110.316 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.4 ' C ' ' O ' ' A' ' 26' ' ' GLN . 6.6 t0 -40.27 -48.31 2.6 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.1 . . . . 0.0 109.287 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.52 HD12 ' O ' ' A' ' 24' ' ' GLN . 3.1 mt -58.67 -80.61 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 109.33 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.63 HG21 ' CZ ' ' A' ' 25' ' ' PHE . 70.2 p -38.83 -56.7 1.33 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.531 1.145 . . . . 0.0 110.375 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 103.52 17.51 17.13 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.491 1.119 . . . . 0.0 111.017 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 15.9 mt -72.57 151.81 7.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.476 0.751 . . . . 0.0 109.323 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -100.42 -33.95 10.15 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.556 1.16 . . . . 0.0 110.324 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -91.44 92.3 8.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 110.006 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . 0.968 ' SD ' HD22 ' A' ' 22' ' ' LEU . 43.4 tpp -56.0 -16.9 5.51 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.455 1.097 . . . . 0.0 110.959 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -66.73 -32.03 73.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 109.326 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -83.75 -27.64 28.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 110.293 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.485 ' HB3' HD21 ' A' ' 22' ' ' LEU . 1.1 m -65.54 -64.49 0.85 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 108.321 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.409 ' HB2' HD11 ' A' ' 22' ' ' LEU . 10.9 ttt180 -42.39 -31.9 0.47 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.538 1.148 . . . . 0.0 110.305 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.44 ' CD2' ' C ' ' A' ' 39' ' ' HIS . 1.2 t60 -66.28 -53.64 34.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.547 1.154 . . . . 0.0 109.584 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.541 HG22 ' HB1' ' A' ' 51' ' ' ALA . 1.7 m -59.49 -25.99 64.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.546 1.154 . . . . 0.0 110.424 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 7.9 mt -84.45 -67.35 0.8 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.475 1.109 . . . . 0.0 109.309 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.421 ' HG2' ' NE1' ' A' ' 46' ' ' TRP . 1.6 mm-40 -39.38 -45.6 1.49 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 110.313 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -52.56 -58.99 5.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.105 . . . . 0.0 110.296 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.706 ' ND1' ' HB1' ' A' ' 50' ' ' ALA . 12.0 m-70 -71.8 -9.57 58.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.093 . . . . 0.0 109.657 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.544 ' CB ' ' O ' ' A' ' 44' ' ' HIS . 19.8 t30 87.04 56.64 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.473 1.108 . . . . 0.0 109.335 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . 0.421 ' NE1' ' HG2' ' A' ' 42' ' ' GLU . 82.3 m95 44.13 60.75 2.63 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.112 . . . . 0.0 108.01 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . 0.455 ' O ' ' N ' ' A' ' 50' ' ' ALA . 3.4 m-20 -125.92 80.72 1.93 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 109.273 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.411 ' O ' HG23 ' A' ' 52' ' ' VAL . 45.9 mt -39.58 -50.96 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.294 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -45.99 -44.94 15.43 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 110.277 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.706 ' HB1' ' ND1' ' A' ' 44' ' ' HIS . . . -83.39 -57.26 3.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.304 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.541 ' HB1' HG22 ' A' ' 40' ' ' THR . . . -42.15 -47.31 4.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 109.254 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.411 HG23 ' O ' ' A' ' 48' ' ' ILE . 15.4 t -52.87 -45.35 50.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.149 . . . . 0.0 109.265 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.439 ' N ' ' O ' ' A' ' 50' ' ' ALA . 24.2 mm100 . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 0.0 110.329 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 65.5 p . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 110.398 -0.223 . . . . 0.0 110.398 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 31.0 mt-30 -47.91 -55.37 10.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 110.305 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -47.18 -61.63 1.8 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.127 . . . . 0.0 110.286 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.57 ' NE2' ' CE2' ' A' ' 46' ' ' TRP . 0.9 OUTLIER -52.66 -59.72 4.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 110.296 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.7 m -41.39 -63.36 0.71 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 110.429 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -41.51 -57.29 2.27 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.129 . . . . 0.0 110.286 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.471 ' O ' HD11 ' A' ' 48' ' ' ILE . 1.9 mttp -45.01 -49.61 11.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.117 . . . . 0.0 109.304 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.622 HD13 ' SD ' ' A' ' 34' ' ' MET . 1.1 mt -49.81 -57.61 7.02 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 109.304 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.441 HD23 ' N ' ' A' ' 23' ' ' LEU . 5.3 mt -41.82 -58.43 2.02 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 0.0 109.282 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.559 ' C ' HD12 ' A' ' 28' ' ' LEU . 0.8 OUTLIER -45.99 -69.37 0.13 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 110.305 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.713 ' CZ ' HG21 ' A' ' 29' ' ' THR . 87.5 t80 -44.42 -58.2 3.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.113 . . . . 0.0 111.044 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.435 ' O ' ' N ' ' A' ' 30' ' ' GLY . 38.8 tt0 -43.92 -69.17 0.14 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 110.292 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -41.89 -49.1 4.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 109.316 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.559 HD12 ' C ' ' A' ' 24' ' ' GLN . 2.9 mt -58.79 -65.7 0.62 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.512 1.133 . . . . 0.0 109.305 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.713 HG21 ' CZ ' ' A' ' 25' ' ' PHE . 7.9 p -53.07 -72.36 0.06 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.545 1.153 . . . . 0.0 110.394 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.435 ' N ' ' O ' ' A' ' 26' ' ' GLN . . . 120.55 2.74 11.68 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.496 1.122 . . . . 0.0 110.956 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 21.5 mt -62.5 150.76 8.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.443 0.731 . . . . 0.0 109.3 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 15.8 tt0 -97.47 -54.15 3.23 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.564 1.165 . . . . 0.0 110.289 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.0 m -66.53 93.76 0.25 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.523 1.14 . . . . 0.0 109.994 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . 0.622 ' SD ' HD13 ' A' ' 22' ' ' LEU . 1.4 mmt -37.99 -43.46 0.72 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 111.005 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 28.7 m-20 -47.06 -53.99 11.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.547 1.154 . . . . 0.0 109.28 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 15.1 mt-30 -49.89 -36.32 26.91 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.506 1.129 . . . . 0.0 110.295 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.474 ' HB3' ' CD2' ' A' ' 22' ' ' LEU . 1.7 m -72.25 -72.75 0.22 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 108.334 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.417 ' HG3' ' CZ2' ' A' ' 46' ' ' TRP . 7.2 ttt180 -38.68 -29.99 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 110.279 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.445 ' N ' ' O ' ' A' ' 37' ' ' CYS . 6.4 t60 -63.15 -66.93 0.47 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 109.622 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.944 HG22 ' HB1' ' A' ' 51' ' ' ALA . 1.2 m -50.3 -25.55 3.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.571 1.169 . . . . 0.0 110.419 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.444 HD21 HG12 ' A' ' 48' ' ' ILE . 13.6 mt -82.19 -69.07 0.65 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.482 1.114 . . . . 0.0 109.309 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -38.41 -47.67 1.27 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 110.294 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -50.52 -64.35 0.84 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 110.323 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.679 ' CE1' ' HB1' ' A' ' 50' ' ' ALA . 3.5 m-70 -67.55 -9.39 42.23 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.501 1.125 . . . . 0.0 109.557 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.554 ' CB ' ' O ' ' A' ' 44' ' ' HIS . 1.3 m-20 85.82 59.86 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.474 1.109 . . . . 0.0 109.291 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . 0.57 ' CE2' ' NE2' ' A' ' 18' ' ' GLN . 83.9 m95 43.52 62.82 1.75 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 108.012 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . 0.455 ' O ' ' N ' ' A' ' 50' ' ' ALA . 1.5 m-20 -127.63 78.55 1.83 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 109.297 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.551 HG23 HG23 ' A' ' 52' ' ' VAL . 39.9 mt -41.66 -47.95 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.436 1.085 . . . . 0.0 109.307 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -48.49 -41.31 29.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 110.261 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.679 ' HB1' ' CE1' ' A' ' 44' ' ' HIS . . . -86.67 -54.86 4.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 109.326 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.944 ' HB1' HG22 ' A' ' 40' ' ' THR . . . -46.37 -49.75 17.4 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.554 1.159 . . . . 0.0 109.288 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.551 HG23 HG23 ' A' ' 48' ' ' ILE . 39.4 t -53.06 -32.87 19.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.522 1.139 . . . . 0.0 109.243 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.455 ' N ' ' O ' ' A' ' 50' ' ' ALA . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 110.286 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.404 ' O ' ' C ' ' A' ' 16' ' ' GLN . 72.4 p . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 110.392 -0.225 . . . . 0.0 110.392 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.404 ' C ' ' O ' ' A' ' 15' ' ' THR . 0.0 OUTLIER -38.78 -59.71 0.92 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 0.0 110.298 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -43.12 -60.64 1.58 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.139 . . . . 0.0 110.304 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 45.8 mt-30 -55.45 -62.72 1.49 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.443 1.09 . . . . 0.0 110.318 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 24.4 m -41.76 -59.06 1.78 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 110.377 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -43.1 -62.14 1.12 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 0.0 110.338 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.494 ' O ' HD11 ' A' ' 48' ' ' ILE . 2.7 mttp -40.86 -47.98 3.02 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.448 1.092 . . . . 0.0 109.293 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.564 HD13 ' SD ' ' A' ' 34' ' ' MET . 0.4 OUTLIER -50.57 -59.03 4.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.315 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.457 HD23 ' N ' ' A' ' 23' ' ' LEU . 4.6 mt -41.87 -56.17 2.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 109.308 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.579 ' OE1' HD11 ' A' ' 28' ' ' LEU . 0.1 OUTLIER -46.51 -69.1 0.14 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 110.324 179.956 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.851 ' CZ ' HG21 ' A' ' 29' ' ' THR . 74.2 t80 -41.56 -60.73 1.23 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.472 1.107 . . . . 0.0 111.041 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.431 ' O ' ' N ' ' A' ' 30' ' ' GLY . 38.0 tt0 -40.67 -68.91 0.15 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.534 1.147 . . . . 0.0 110.326 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 11.1 t0 -43.02 -50.18 5.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 109.314 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.579 HD11 ' OE1' ' A' ' 24' ' ' GLN . 3.0 mt -58.01 -73.77 0.07 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.509 1.131 . . . . 0.0 109.298 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.851 HG21 ' CZ ' ' A' ' 25' ' ' PHE . 12.0 p -44.36 -64.24 0.72 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.517 1.136 . . . . 0.0 110.436 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.431 ' N ' ' O ' ' A' ' 26' ' ' GLN . . . 110.96 17.23 9.13 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.495 1.122 . . . . 0.0 111.056 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 32.5 mt -77.37 147.34 7.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.5 0.765 . . . . 0.0 109.328 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -87.49 -58.34 2.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 110.296 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 9.0 m -67.17 122.34 17.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 110.03 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . 0.564 ' SD ' HD13 ' A' ' 22' ' ' LEU . 2.8 mmt -62.53 -47.24 84.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.546 1.154 . . . . 0.0 110.957 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 11.2 t0 -44.15 -52.25 7.45 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.552 1.158 . . . . 0.0 109.324 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 4.6 mm100 -52.78 -35.72 56.99 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.535 1.147 . . . . 0.0 110.351 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.47 ' HB3' ' CD2' ' A' ' 22' ' ' LEU . 1.7 m -72.51 -73.13 0.21 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.154 . . . . 0.0 108.3 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.454 ' HB2' HD11 ' A' ' 22' ' ' LEU . 0.4 OUTLIER -37.52 -31.91 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.565 1.166 . . . . 0.0 110.262 -179.978 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.447 ' N ' ' O ' ' A' ' 37' ' ' CYS . 13.2 t-160 -61.27 -64.21 1.03 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 0.0 109.597 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.8 HG22 ' HB1' ' A' ' 51' ' ' ALA . 1.3 m -51.99 -30.32 24.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 110.376 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.401 ' O ' ' C ' ' A' ' 42' ' ' GLU . 11.9 mt -77.36 -69.12 0.55 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 0.0 109.315 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.401 ' C ' ' O ' ' A' ' 41' ' ' LEU . 2.1 mm-40 -38.17 -45.92 1.0 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 0.0 110.333 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -49.79 -65.29 0.59 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 110.289 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.613 ' ND1' ' HB1' ' A' ' 50' ' ' ALA . 12.5 m-70 -67.56 -9.65 44.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.104 . . . . 0.0 109.592 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.573 ' CB ' ' O ' ' A' ' 44' ' ' HIS . 21.9 t30 87.37 57.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.146 . . . . 0.0 109.317 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 82.4 m95 46.06 61.71 2.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 107.997 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . 0.456 ' O ' ' N ' ' A' ' 50' ' ' ALA . 2.9 m-20 -127.38 79.2 1.87 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.478 1.111 . . . . 0.0 109.253 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.523 ' O ' HG23 ' A' ' 52' ' ' VAL . 29.3 mt -40.39 -48.39 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.543 1.152 . . . . 0.0 109.305 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -48.12 -43.98 31.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 110.309 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.613 ' HB1' ' ND1' ' A' ' 44' ' ' HIS . . . -84.26 -54.81 4.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.293 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.8 ' HB1' HG22 ' A' ' 40' ' ' THR . . . -45.17 -49.26 12.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.53 1.143 . . . . 0.0 109.316 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.523 HG23 ' O ' ' A' ' 48' ' ' ILE . 37.7 t -51.75 -36.47 18.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 109.277 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.445 ' N ' ' O ' ' A' ' 50' ' ' ALA . 12.4 tp60 . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.144 . . . . 0.0 110.318 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 19.7 p . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 110.383 -0.229 . . . . 0.0 110.383 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -39.45 -59.14 1.13 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 0.0 110.308 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 31.4 mt-10 -46.55 -67.59 0.27 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 110.309 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 58.0 mt-30 -39.76 -62.79 0.66 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.517 1.136 . . . . 0.0 110.281 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 8.5 m -41.37 -56.7 2.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.127 . . . . 0.0 110.418 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -46.06 -57.87 4.09 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.553 1.158 . . . . 0.0 110.304 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.5 ' O ' HD11 ' A' ' 48' ' ' ILE . 1.4 mttt -44.43 -47.83 9.9 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.458 1.098 . . . . 0.0 109.267 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.503 HD11 ' HB2' ' A' ' 38' ' ' ARG . 0.2 OUTLIER -50.89 -57.28 8.88 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 109.26 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.457 HD23 ' N ' ' A' ' 23' ' ' LEU . 4.6 mt -43.62 -54.83 4.7 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.532 1.145 . . . . 0.0 109.311 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.585 ' C ' HD12 ' A' ' 28' ' ' LEU . 2.0 mt-30 -49.62 -67.86 0.23 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.448 1.093 . . . . 0.0 110.308 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.594 ' O ' HG23 ' A' ' 29' ' ' THR . 34.7 t80 -41.46 -60.56 1.26 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 110.996 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.443 ' O ' ' N ' ' A' ' 30' ' ' GLY . 25.0 tt0 -47.8 -72.56 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.149 . . . . 0.0 110.297 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.407 ' C ' ' O ' ' A' ' 26' ' ' GLN . 0.4 OUTLIER -40.09 -47.25 2.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.247 -179.922 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.585 HD12 ' C ' ' A' ' 24' ' ' GLN . 5.2 mt -60.67 -74.15 0.08 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.297 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.594 HG23 ' O ' ' A' ' 25' ' ' PHE . 69.8 p -48.1 -68.42 0.19 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 110.388 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 26' ' ' GLN . . . 116.85 13.53 7.82 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.533 1.146 . . . . 0.0 111.028 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.403 ' O ' ' C ' ' A' ' 32' ' ' GLU . 10.3 mt -71.95 96.95 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.536 0.786 . . . . 0.0 109.281 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.403 ' C ' ' O ' ' A' ' 31' ' ' ILE . 1.6 mt-10 -38.62 -62.68 0.58 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 110.338 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.8 m -54.99 131.77 45.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 109.945 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . 0.404 ' O ' ' N ' ' A' ' 37' ' ' CYS . 1.7 tpt -75.94 -56.05 5.03 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.5 1.125 . . . . 0.0 110.965 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -48.11 -40.88 24.85 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 109.271 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 16.6 mm100 -57.79 -33.99 69.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.457 1.098 . . . . 0.0 110.313 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.488 ' HB3' HD21 ' A' ' 22' ' ' LEU . 0.8 OUTLIER -73.98 -73.84 0.21 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.113 . . . . 0.0 108.319 179.95 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.503 ' HB2' HD11 ' A' ' 22' ' ' LEU . 2.6 ttp180 -38.66 -38.75 0.43 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.542 1.151 . . . . 0.0 110.35 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 2.5 t60 -46.32 -60.6 2.23 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.444 1.09 . . . . 0.0 109.635 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.493 HG22 ' HB1' ' A' ' 51' ' ' ALA . 1.8 m -56.61 -61.03 2.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 110.42 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.594 HD11 ' CB ' ' A' ' 25' ' ' PHE . 8.2 mt -42.18 -64.91 0.52 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 109.317 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.401 ' C ' ' O ' ' A' ' 41' ' ' LEU . 0.0 OUTLIER -38.09 -52.9 1.42 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 110.308 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -55.9 -57.42 12.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.567 1.167 . . . . 0.0 110.286 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.579 ' ND1' ' HB1' ' A' ' 50' ' ' ALA . 12.5 m-70 -62.76 -13.25 30.69 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.123 . . . . 0.0 109.593 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.56 ' CB ' ' O ' ' A' ' 44' ' ' HIS . 27.0 t30 86.8 42.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 0.0 109.312 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 91.6 m95 57.28 55.34 5.94 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.111 . . . . 0.0 108.004 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . 0.437 ' O ' ' N ' ' A' ' 50' ' ' ALA . 1.0 OUTLIER -121.29 76.73 1.26 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 109.291 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.561 HG12 HD21 ' A' ' 41' ' ' LEU . 19.7 mt -39.34 -51.93 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 109.315 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -46.5 -46.33 19.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 110.3 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.579 ' HB1' ' ND1' ' A' ' 44' ' ' HIS . . . -79.49 -59.61 2.69 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.482 1.113 . . . . 0.0 109.288 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.493 ' HB1' HG22 ' A' ' 40' ' ' THR . . . -41.41 -51.38 3.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 109.31 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 6.8 t -48.72 -55.34 3.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.293 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.462 1.101 . . . . 0.0 110.268 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.991 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -124.69 86.9 2.63 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.486 0.757 . . . . 0.0 109.998 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.5 m 44.01 85.24 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.559 1.162 . . . . 0.0 110.03 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -146.31 67.72 0.4 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.456 1.097 . . . . 0.0 111.01 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.2 t -119.18 106.02 11.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 0.774 . . . . 0.0 110.01 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 34.2 t -98.84 121.11 40.36 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 109.966 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 171.37 -155.66 24.73 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.47 1.106 . . . . 0.0 111.013 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.471 ' HB1' ' HD2' ' A' ' 9' ' ' PRO . . . -113.53 163.06 19.46 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.547 0.793 . . . . 0.0 109.323 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.471 ' HD2' ' HB1' ' A' ' 8' ' ' ALA . 18.3 Cg_endo -75.02 60.31 5.43 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.533 1.807 . . . . 0.0 110.969 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -122.76 168.35 12.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 110.291 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -147.82 123.35 10.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.536 1.147 . . . . 0.0 110.273 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 25.5 mtt180 -121.07 107.1 12.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 110.297 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -106.51 133.69 50.8 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.546 1.154 . . . . 0.0 109.279 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.442 HD22 ' CZ2' ' A' ' 46' ' ' TRP . 15.6 mt -90.5 173.88 7.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 109.26 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 16.9 p -99.98 157.83 16.25 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.127 . . . . 0.0 110.373 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -43.72 -61.42 1.42 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.562 1.164 . . . . 0.0 110.335 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 19.7 tt0 -43.73 -64.34 0.68 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.521 1.138 . . . . 0.0 110.265 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.483 ' NE2' ' CE2' ' A' ' 46' ' ' TRP . 69.0 mt-30 -47.96 -60.12 2.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.145 . . . . 0.0 110.329 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 7.7 m -39.67 -58.97 1.22 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 110.451 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -47.38 -55.63 8.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 110.285 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.546 ' O ' HD11 ' A' ' 48' ' ' ILE . 16.0 mttp -44.77 -48.43 10.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.296 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.601 HD13 ' HE2' ' A' ' 34' ' ' MET . 1.8 mt -51.49 -59.34 4.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 109.311 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.445 HD23 ' N ' ' A' ' 23' ' ' LEU . 5.0 mt -40.56 -52.9 2.8 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 0.0 109.279 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.559 ' OE1' HD11 ' A' ' 28' ' ' LEU . 0.0 OUTLIER -52.93 -68.02 0.2 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 110.309 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.684 ' CZ ' HG21 ' A' ' 29' ' ' THR . 51.3 t80 -44.97 -57.33 3.88 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 111.033 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.431 ' O ' ' N ' ' A' ' 30' ' ' GLY . 1.1 tt0 -42.81 -58.54 2.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.105 . . . . 0.0 110.298 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -55.85 -55.13 36.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.132 . . . . 0.0 109.309 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.559 HD11 ' OE1' ' A' ' 24' ' ' GLN . 3.1 mt -50.28 -69.15 0.12 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 109.242 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.684 HG21 ' CZ ' ' A' ' 25' ' ' PHE . 29.5 p -53.61 -71.36 0.07 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 110.41 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.431 ' N ' ' O ' ' A' ' 26' ' ' GLN . . . 115.36 13.87 8.66 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.517 1.136 . . . . 0.0 110.981 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.509 HD11 ' HD3' ' A' ' 55' ' ' ARG . 12.5 mt -70.1 149.32 10.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.507 0.769 . . . . 0.0 109.328 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 15.6 tt0 -92.3 -57.9 2.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 110.306 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.8 m -60.22 100.07 0.09 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.541 1.151 . . . . 0.0 110.012 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . 0.601 ' HE2' HD13 ' A' ' 22' ' ' LEU . 0.7 OUTLIER -44.26 -48.44 9.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 0.0 110.996 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -48.21 -53.32 17.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 109.331 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 9.8 mm100 -47.67 -43.49 26.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 0.0 110.282 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.465 ' HB3' ' CD2' ' A' ' 22' ' ' LEU . 1.3 m -60.72 -73.58 0.09 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 108.305 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.505 ' HG3' ' CZ2' ' A' ' 46' ' ' TRP . 4.9 ttp180 -40.52 -34.72 0.38 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.455 1.097 . . . . 0.0 110.284 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 8.9 t-160 -53.95 -70.4 0.1 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.134 . . . . 0.0 109.594 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.824 HG22 ' HB1' ' A' ' 51' ' ' ALA . 1.3 m -46.46 -33.85 4.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 0.0 110.419 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.428 HD21 ' CG1' ' A' ' 48' ' ' ILE . 7.9 mt -70.58 -68.38 0.43 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.12 . . . . 0.0 109.284 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.434 ' OE2' ' NE1' ' A' ' 46' ' ' TRP . 5.3 mm-40 -38.11 -50.62 1.39 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 110.288 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 1.3 mm-40 -50.26 -64.17 0.89 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.446 1.091 . . . . 0.0 110.337 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.821 ' CE1' ' HB1' ' A' ' 50' ' ' ALA . 3.7 m-70 -65.0 -11.83 43.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.579 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.538 ' CB ' ' O ' ' A' ' 44' ' ' HIS . 2.1 t-20 86.38 58.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.27 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . 0.505 ' CZ2' ' HG3' ' A' ' 38' ' ' ARG . 85.3 m95 43.93 58.74 3.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 107.985 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . 0.445 ' O ' ' N ' ' A' ' 50' ' ' ALA . 2.0 m-20 -124.92 75.92 1.48 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.108 . . . . 0.0 109.277 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.546 HD11 ' O ' ' A' ' 21' ' ' LYS . 64.7 mt -40.4 -48.38 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 109.323 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -46.8 -44.27 19.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.151 . . . . 0.0 110.312 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.821 ' HB1' ' CE1' ' A' ' 44' ' ' HIS . . . -85.83 -57.13 3.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 109.279 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.824 ' HB1' HG22 ' A' ' 40' ' ' THR . . . -42.34 -43.19 3.43 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 109.306 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.51 ' O ' HD12 ' A' ' 56' ' ' LEU . 13.5 t -57.31 -50.9 75.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.512 1.133 . . . . 0.0 109.295 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -62.02 -53.13 59.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.538 1.149 . . . . 0.0 110.27 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.405 ' HB2' ' NE2' ' A' ' 44' ' ' HIS . 0.8 OUTLIER -57.78 -25.11 60.06 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.421 1.075 . . . . 0.0 109.263 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.627 ' HG2' HG22 ' A' ' 29' ' ' THR . 0.0 OUTLIER -77.44 -49.17 15.39 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.536 1.147 . . . . 0.0 110.294 -179.964 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.51 HD12 ' O ' ' A' ' 52' ' ' VAL . 0.5 OUTLIER -71.47 -54.07 11.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.12 . . . . 0.0 109.273 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.404 ' C ' ' O ' ' A' ' 56' ' ' LEU . 14.5 m-20 -40.13 -52.91 2.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.149 . . . . 0.0 109.34 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -77.92 88.83 4.1 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 110.33 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 62.07 111.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 110.298 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -119.66 152.41 37.17 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 0.0 110.298 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -63.25 -64.05 4.07 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.472 1.108 . . . . 0.0 110.986 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 3.2 m -155.87 121.32 4.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 0.769 . . . . 0.0 109.975 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 106.86 96.0 2.44 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.462 1.101 . . . . 0.0 110.982 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -36.89 2.27 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.465 1.771 . . . . 0.0 111.014 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 53.7 p -138.5 154.68 48.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.454 1.096 . . . . 0.0 110.064 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 3.6 m -131.99 167.76 19.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.996 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 O-C-N 124.49 1.119 . . . . 0.0 111.033 -179.973 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 N-CA-C 111.026 -0.829 . . . . 0.0 111.026 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 37.0 t -154.09 121.63 5.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 0.768 . . . . 0.0 110.001 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -172.44 158.91 4.42 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.469 1.105 . . . . 0.0 109.999 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -158.22 134.63 3.94 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.517 1.136 . . . . 0.0 110.996 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 70.7 p -152.93 111.47 3.71 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.48 0.753 . . . . 0.0 110.006 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.402 ' O ' ' C ' ' A' ' 7' ' ' GLY . 1.4 t -149.04 157.65 43.57 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.491 1.119 . . . . 0.0 109.966 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.402 ' C ' ' O ' ' A' ' 6' ' ' SER . . . -37.77 112.68 0.19 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.494 1.121 . . . . 0.0 111.023 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -163.74 92.87 1.09 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.515 0.773 . . . . 0.0 109.276 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 63.33 5.98 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.523 1.801 . . . . 0.0 110.974 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -172.66 141.0 1.06 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.437 1.085 . . . . 0.0 110.266 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -155.93 140.29 16.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 0.0 110.33 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.08 146.89 23.99 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 0.0 110.285 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 29.4 m-20 -130.69 146.89 52.28 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.524 1.14 . . . . 0.0 109.276 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 31.9 mt -112.63 171.22 7.66 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.45 1.094 . . . . 0.0 109.31 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 34.9 p -115.0 152.52 32.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 110.398 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -39.08 -56.62 1.41 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 0.0 110.32 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -44.92 -59.93 2.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 110.297 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 72.3 mt-30 -49.21 -59.48 3.63 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 110.273 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 5.7 m -39.16 -59.46 1.01 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 0.0 110.412 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -45.23 -60.56 2.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.455 1.097 . . . . 0.0 110.334 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 7.8 mttm -40.43 -49.61 2.85 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 1.139 . . . . 0.0 109.305 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.471 HD13 ' CE ' ' A' ' 34' ' ' MET . 1.7 mt -50.38 -60.14 3.29 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 109.331 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.435 HD23 ' N ' ' A' ' 23' ' ' LEU . 4.9 mt -40.33 -51.94 2.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.152 . . . . 0.0 109.303 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -51.63 -67.91 0.21 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 110.286 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.617 ' CZ ' HG21 ' A' ' 29' ' ' THR . 70.2 t80 -49.39 -44.46 45.04 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.531 1.145 . . . . 0.0 111.004 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 -54.95 -42.63 72.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 110.337 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -70.73 -51.6 26.25 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.504 1.127 . . . . 0.0 109.315 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.7 mt -50.92 -68.59 0.16 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.45 1.094 . . . . 0.0 109.274 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.617 HG21 ' CZ ' ' A' ' 25' ' ' PHE . 70.0 p -57.63 -70.2 0.14 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.107 . . . . 0.0 110.369 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 113.58 21.3 5.82 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.46 1.1 . . . . 0.0 110.988 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.443 HD11 ' HD3' ' A' ' 55' ' ' ARG . 12.5 mt -73.94 156.1 6.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.491 0.759 . . . . 0.0 109.315 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -101.34 -51.7 3.42 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.485 1.116 . . . . 0.0 110.318 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 20.1 m -65.9 98.95 0.44 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.44 1.087 . . . . 0.0 109.966 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . 0.471 ' CE ' HD13 ' A' ' 22' ' ' LEU . 0.0 OUTLIER -44.32 -40.92 5.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 111.004 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -54.22 -50.25 67.57 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 0.0 109.292 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 12.3 mm100 -51.81 -39.77 59.32 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.133 . . . . 0.0 110.335 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.459 ' HB3' ' CD2' ' A' ' 22' ' ' LEU . 1.7 m -66.71 -73.72 0.13 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.555 1.16 . . . . 0.0 108.334 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -38.73 -34.3 0.14 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 110.299 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 3.5 t60 -59.0 -64.59 0.89 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.448 1.093 . . . . 0.0 109.611 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.86 HG22 ' HB1' ' A' ' 51' ' ' ALA . 1.6 m -50.85 -37.21 41.85 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 110.367 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 9.0 mt -70.09 -69.19 0.37 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.45 1.094 . . . . 0.0 109.285 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.439 ' OE2' ' NE1' ' A' ' 46' ' ' TRP . 7.4 mm-40 -38.77 -46.33 1.25 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.544 1.152 . . . . 0.0 110.305 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.07 -64.64 0.75 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 110.307 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.68 ' ND1' ' HB1' ' A' ' 50' ' ' ALA . 14.5 m-70 -68.28 -9.71 49.53 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.457 1.098 . . . . 0.0 109.583 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.56 ' CB ' ' O ' ' A' ' 44' ' ' HIS . 1.5 t30 86.55 58.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 0.0 109.335 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . 0.439 ' NE1' ' OE2' ' A' ' 42' ' ' GLU . 83.3 m95 45.25 59.82 3.33 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.515 1.134 . . . . 0.0 108.002 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . 0.449 ' O ' ' N ' ' A' ' 50' ' ' ALA . 1.1 m120 -126.67 78.07 1.76 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.291 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.453 HG23 HG23 ' A' ' 52' ' ' VAL . 63.1 mt -40.25 -49.13 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.108 . . . . 0.0 109.288 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -46.7 -44.45 18.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 110.279 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.68 ' HB1' ' ND1' ' A' ' 44' ' ' HIS . . . -84.97 -57.53 3.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 0.0 109.298 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.86 ' HB1' HG22 ' A' ' 40' ' ' THR . . . -42.2 -45.36 4.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 109.322 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.578 ' O ' HD12 ' A' ' 56' ' ' LEU . 13.3 t -54.83 -47.74 74.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.261 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.418 ' N ' ' O ' ' A' ' 50' ' ' ALA . 2.4 mm-40 -63.73 -58.02 8.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 110.284 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.457 ' HB2' ' CD2' ' A' ' 44' ' ' HIS . 0.5 OUTLIER -54.28 -20.61 7.4 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.146 . . . . 0.0 109.324 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.597 ' HG2' HG22 ' A' ' 29' ' ' THR . 7.1 tpt180 -82.65 -49.63 9.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 110.33 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.578 HD12 ' O ' ' A' ' 52' ' ' VAL . 0.5 OUTLIER -72.44 -54.67 8.66 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.442 1.089 . . . . 0.0 109.247 -179.974 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.515 ' O ' ' CB ' ' A' ' 58' ' ' GLU . 8.9 m-80 -45.26 -59.94 2.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.31 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.515 ' CB ' ' O ' ' A' ' 57' ' ' ASN . 14.6 tt0 87.6 -41.22 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 110.297 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -77.18 108.88 10.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 110.283 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -85.59 119.89 26.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 110.355 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 91.6 -169.8 33.14 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.526 1.141 . . . . 0.0 110.988 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -104.73 -60.82 1.54 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 0.761 . . . . 0.0 110.015 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -130.14 -85.48 0.39 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.422 1.076 . . . . 0.0 110.993 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 87.78 1.3 Allowed 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.52 1.8 . . . . 0.0 110.987 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -111.7 143.18 43.03 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.113 . . . . 0.0 110.018 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 2.3 t -130.64 159.74 36.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.441 1.088 . . . . 0.0 110.042 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.026 0 O-C-N 124.548 1.155 . . . . 0.0 111.006 179.994 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.6 m 63.74 156.28 0.07 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.497 0.763 . . . . 0.0 109.963 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.7 t -141.68 164.29 30.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 110.039 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 85.88 85.75 1.03 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.514 1.134 . . . . 0.0 111.006 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.6 m -58.34 160.33 5.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 0.764 . . . . 0.0 110.011 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.1 m -70.71 149.18 47.2 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.578 1.174 . . . . 0.0 110.043 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -158.15 63.5 0.31 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.457 1.098 . . . . 0.0 111.015 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -174.14 92.59 0.33 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.483 0.755 . . . . 0.0 109.33 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 60.15 5.35 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.475 1.776 . . . . 0.0 110.988 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -136.67 130.55 32.32 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.557 1.161 . . . . 0.0 110.305 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -94.83 61.17 2.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 110.284 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -121.62 133.56 54.99 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 110.32 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 60.59 163.05 0.06 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.455 1.097 . . . . 0.0 109.295 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 18.3 mt -101.18 173.19 6.57 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.533 1.146 . . . . 0.0 109.3 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 74.1 p -107.31 160.39 15.65 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.482 1.114 . . . . 0.0 110.411 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.3 tp60 -47.47 -60.43 2.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 110.299 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 -42.47 -62.16 1.04 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 0.0 110.278 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 12.9 mm-40 -48.35 -59.38 3.5 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.453 1.096 . . . . 0.0 110.302 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 23.5 m -42.56 -59.85 1.74 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 110.402 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -41.34 -59.11 1.64 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.546 1.153 . . . . 0.0 110.316 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.641 ' O ' HD11 ' A' ' 48' ' ' ILE . 0.8 OUTLIER -43.7 -47.03 7.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 109.252 -179.97 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.834 HD13 ' HE3' ' A' ' 34' ' ' MET . 1.1 mt -52.97 -59.44 4.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.137 . . . . 0.0 109.318 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.443 HD23 ' N ' ' A' ' 23' ' ' LEU . 5.0 mt -40.13 -52.49 2.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 109.308 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.474 ' C ' HD12 ' A' ' 28' ' ' LEU . 2.7 mm-40 -50.29 -67.88 0.22 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.479 1.112 . . . . 0.0 110.291 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.766 ' CZ ' HG21 ' A' ' 29' ' ' THR . 69.5 t80 -46.28 -60.19 2.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.553 1.158 . . . . 0.0 110.991 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.449 ' O ' ' N ' ' A' ' 30' ' ' GLY . 0.7 OUTLIER -40.95 -58.41 1.72 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.13 . . . . 0.0 110.264 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -55.43 -53.72 52.71 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 109.28 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.474 HD12 ' C ' ' A' ' 24' ' ' GLN . 3.6 mt -52.35 -67.85 0.22 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.142 . . . . 0.0 109.281 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.766 HG21 ' CZ ' ' A' ' 25' ' ' PHE . 34.5 p -54.47 -71.4 0.08 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 110.411 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 26' ' ' GLN . . . 112.77 10.66 16.0 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.496 1.123 . . . . 0.0 111.057 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.672 HD11 ' HD3' ' A' ' 55' ' ' ARG . 21.7 mt -61.97 153.71 5.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.513 0.772 . . . . 0.0 109.316 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 16.4 tt0 -99.54 -56.72 2.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 110.316 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.438 ' O ' ' N ' ' A' ' 36' ' ' GLN . 0.3 OUTLIER -62.86 90.8 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.996 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . 0.834 ' HE3' HD13 ' A' ' 22' ' ' LEU . 0.0 OUTLIER -38.01 -45.39 0.89 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 0.0 111.026 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -44.25 -47.08 9.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.128 . . . . 0.0 109.247 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.441 ' HB2' HG21 ' A' ' 31' ' ' ILE . 64.5 mt-30 -56.85 -47.51 80.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 110.311 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.48 ' HB3' ' CD2' ' A' ' 22' ' ' LEU . 6.1 m -51.83 -73.98 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 108.298 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -41.0 -38.58 1.0 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.491 1.12 . . . . 0.0 110.338 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 7.3 t-160 -54.84 -71.94 0.07 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.461 1.101 . . . . 0.0 109.576 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 1.025 HG22 ' HB1' ' A' ' 51' ' ' ALA . 1.4 m -42.39 -46.13 4.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.107 . . . . 0.0 110.428 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.418 HD21 HG12 ' A' ' 48' ' ' ILE . 16.6 mt -62.82 -72.01 0.15 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.477 1.111 . . . . 0.0 109.284 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.4 ' C ' ' O ' ' A' ' 41' ' ' LEU . 1.8 mm-40 -38.03 -44.89 0.85 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 110.343 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 1.5 mm-40 -50.68 -62.57 1.52 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 110.323 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.625 ' ND1' ' HB1' ' A' ' 50' ' ' ALA . 12.6 m-70 -71.37 -9.6 58.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.598 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.576 ' CB ' ' O ' ' A' ' 44' ' ' HIS . 11.3 t-20 87.7 57.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.117 . . . . 0.0 109.332 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 85.0 m95 46.72 56.72 6.25 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.515 1.135 . . . . 0.0 108.001 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . 0.441 ' O ' ' N ' ' A' ' 50' ' ' ALA . 2.2 m-20 -123.56 78.0 1.55 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.12 . . . . 0.0 109.291 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.641 HD11 ' O ' ' A' ' 21' ' ' LYS . 56.2 mt -39.49 -52.1 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.554 1.159 . . . . 0.0 109.301 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -45.44 -45.25 12.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.457 1.098 . . . . 0.0 110.268 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.625 ' HB1' ' ND1' ' A' ' 44' ' ' HIS . . . -82.56 -58.48 2.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.283 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 1.025 ' HB1' HG22 ' A' ' 40' ' ' THR . . . -41.55 -49.21 4.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.452 1.095 . . . . 0.0 109.285 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.465 ' O ' HD12 ' A' ' 56' ' ' LEU . 5.9 t -51.88 -46.14 40.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.521 1.138 . . . . 0.0 109.274 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.434 ' N ' ' O ' ' A' ' 50' ' ' ALA . 10.6 mm-40 -62.4 -58.02 9.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 110.328 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.409 ' HB2' ' NE2' ' A' ' 44' ' ' HIS . 25.8 t70 -55.69 -21.88 20.56 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.459 1.1 . . . . 0.0 109.317 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.7 ' HG2' HG22 ' A' ' 29' ' ' THR . 8.6 tpt180 -80.81 -51.61 8.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 110.295 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.465 HD12 ' O ' ' A' ' 52' ' ' VAL . 0.4 OUTLIER -69.96 -52.44 24.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 109.343 179.942 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 25.4 m-20 -47.35 -52.92 15.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.284 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 40.42 70.49 0.24 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.13 . . . . 0.0 110.32 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -161.91 94.53 0.94 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 110.302 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -74.55 129.51 37.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.108 . . . . 0.0 110.31 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -159.29 -157.96 8.84 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.531 1.144 . . . . 0.0 110.995 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 60.6 p -172.94 142.81 1.13 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.535 0.785 . . . . 0.0 110.039 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 103.11 157.23 25.12 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.519 1.137 . . . . 0.0 110.978 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 153.77 42.07 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.475 1.776 . . . . 0.0 110.991 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 54.0 p -76.74 77.85 3.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.544 1.153 . . . . 0.0 110.013 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -70.51 -59.74 2.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 110.021 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.033 0 O-C-N 124.494 1.121 . . . . 0.0 110.972 -179.988 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 27.4 m -143.1 128.79 19.25 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 0.764 . . . . 0.0 109.988 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 50.4 m 62.29 135.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.11 . . . . 0.0 110.019 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -85.64 -151.35 16.09 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.519 1.137 . . . . 0.0 110.975 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 45.5 t -130.43 136.79 49.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 0.772 . . . . 0.0 110.003 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 34.9 m 61.58 104.16 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.129 . . . . 0.0 109.999 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -140.73 77.34 0.31 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.52 1.137 . . . . 0.0 110.979 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -169.2 153.95 5.69 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.539 0.787 . . . . 0.0 109.338 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 55.91 4.09 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.538 1.809 . . . . 0.0 111.017 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 55.26 170.2 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.445 1.09 . . . . 0.0 110.257 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -112.93 132.92 55.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.455 1.097 . . . . 0.0 110.299 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 4.7 ttt180 -87.4 122.56 31.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 110.296 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -78.44 139.45 38.73 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.486 1.116 . . . . 0.0 109.318 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 21.1 mt -105.09 173.8 6.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.14 . . . . 0.0 109.312 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 69.2 p -104.74 159.54 15.7 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 110.381 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -47.01 -58.43 3.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 0.0 110.294 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -43.35 -62.99 0.9 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 0.0 110.278 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 54.0 mt-30 -47.92 -60.89 2.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.457 1.098 . . . . 0.0 110.328 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.7 m -39.53 -60.82 0.89 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.446 1.091 . . . . 0.0 110.4 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -41.65 -61.12 1.15 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.493 1.121 . . . . 0.0 110.307 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 8.0 mttp -40.95 -50.27 3.27 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.114 . . . . 0.0 109.312 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.47 ' CD2' ' HB3' ' A' ' 37' ' ' CYS . 1.1 mt -49.5 -59.29 3.88 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.149 . . . . 0.0 109.293 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.444 HD23 ' N ' ' A' ' 23' ' ' LEU . 5.1 mt -40.79 -54.72 2.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 109.313 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 3.9 mm-40 -50.19 -67.95 0.21 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 0.0 110.303 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.717 ' CZ ' HG21 ' A' ' 29' ' ' THR . 72.4 t80 -46.46 -46.43 18.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 111.063 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 6.1 tt0 -54.06 -44.31 70.98 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.11 . . . . 0.0 110.335 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -68.87 -47.23 66.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 109.3 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.9 mt -57.0 -66.54 0.43 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.122 . . . . 0.0 109.322 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.717 HG21 ' CZ ' ' A' ' 25' ' ' PHE . 60.9 p -57.61 -69.0 0.18 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.428 1.08 . . . . 0.0 110.369 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 110.26 23.01 6.23 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.482 1.114 . . . . 0.0 111.032 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.452 HD11 ' HD3' ' A' ' 55' ' ' ARG . 14.5 mt -77.89 153.5 5.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.478 0.752 . . . . 0.0 109.31 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -96.64 -55.96 2.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 110.295 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.9 m -62.72 97.03 0.09 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 109.965 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -41.33 -50.33 3.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 111.004 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -45.4 -53.3 8.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.149 . . . . 0.0 109.305 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 10.2 mm100 -48.34 -40.82 26.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 110.292 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.47 ' HB3' ' CD2' ' A' ' 22' ' ' LEU . 1.3 m -66.42 -73.38 0.13 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 108.301 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.4 ' C ' ' O ' ' A' ' 37' ' ' CYS . 18.1 ttp180 -38.64 -35.38 0.19 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 110.273 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 3.9 t60 -57.32 -64.27 0.94 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 109.62 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.834 HG22 ' HB1' ' A' ' 51' ' ' ALA . 2.3 m -50.01 -41.45 47.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 110.385 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.454 HD21 HG12 ' A' ' 48' ' ' ILE . 7.6 mt -66.54 -69.74 0.29 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.134 . . . . 0.0 109.33 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -38.93 -46.1 1.27 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.448 1.092 . . . . 0.0 110.289 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -50.85 -63.36 1.15 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.125 . . . . 0.0 110.243 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.681 ' ND1' ' HB1' ' A' ' 50' ' ' ALA . 9.5 m-70 -68.96 -9.6 52.98 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 109.6 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.565 ' CB ' ' O ' ' A' ' 44' ' ' HIS . 11.2 t-20 87.02 58.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.302 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 85.0 m95 44.53 60.89 2.65 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 108.023 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . 0.453 ' O ' ' N ' ' A' ' 50' ' ' ALA . 2.4 m-20 -128.57 78.36 1.84 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.478 1.111 . . . . 0.0 109.303 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.56 ' O ' HG23 ' A' ' 52' ' ' VAL . 43.7 mt -40.43 -48.18 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 0.0 109.347 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -47.4 -44.18 24.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 110.286 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.681 ' HB1' ' ND1' ' A' ' 44' ' ' HIS . . . -85.68 -57.19 3.15 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.476 1.11 . . . . 0.0 109.322 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.834 ' HB1' HG22 ' A' ' 40' ' ' THR . . . -42.95 -43.94 4.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.557 1.161 . . . . 0.0 109.304 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.56 HG23 ' O ' ' A' ' 48' ' ' ILE . 24.9 t -56.78 -51.31 68.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 0.0 109.289 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -59.82 -56.1 26.0 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.452 1.095 . . . . 0.0 110.258 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.411 ' HB2' ' NE2' ' A' ' 44' ' ' HIS . 4.2 t70 -58.15 -24.53 59.24 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.128 . . . . 0.0 109.315 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.654 ' HG2' HG22 ' A' ' 29' ' ' THR . 37.4 tpt85 -77.39 -53.65 7.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 110.316 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -68.28 -51.37 45.72 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.558 1.161 . . . . 0.0 109.314 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 50.8 m-20 -43.36 -62.83 0.95 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 109.365 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -51.92 106.12 0.14 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.465 1.103 . . . . 0.0 110.256 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 62.43 150.69 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 110.272 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 60.52 163.36 0.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.559 1.162 . . . . 0.0 110.283 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -123.76 -167.71 12.83 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.485 1.116 . . . . 0.0 111.061 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 88.3 p -75.08 137.86 41.73 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.523 0.778 . . . . 0.0 109.991 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -69.77 157.31 53.51 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.504 1.128 . . . . 0.0 111.007 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -53.9 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.486 1.782 . . . . 0.0 110.993 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.2 m 65.12 127.86 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 109.988 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -72.11 116.96 13.15 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 110.001 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.025 0 O-C-N 124.483 1.115 . . . . 0.0 111.001 -179.974 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.027 0 N-CA-C 110.969 -0.853 . . . . 0.0 110.969 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 43.04 84.91 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.494 0.761 . . . . 0.0 110.021 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -168.97 146.41 3.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.429 1.08 . . . . 0.0 110.031 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -178.5 157.7 21.68 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.533 1.146 . . . . 0.0 110.994 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 53.81 96.35 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 0.755 . . . . 0.0 109.952 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.3 t -172.93 143.04 1.15 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.106 . . . . 0.0 110.011 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 127.95 -119.59 3.19 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.496 1.122 . . . . 0.0 110.964 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.466 ' HB1' ' HD2' ' A' ' 9' ' ' PRO . . . 65.83 163.3 0.12 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.493 0.76 . . . . 0.0 109.28 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.466 ' HD2' ' HB1' ' A' ' 8' ' ' ALA . 18.3 Cg_endo -75.03 72.82 4.54 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.52 1.8 . . . . 0.0 111.015 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -102.36 137.0 41.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 110.31 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -152.76 58.52 0.8 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 110.281 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 3.4 mtt180 -128.08 82.52 2.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.105 . . . . 0.0 110.319 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 58.2 167.25 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.559 1.162 . . . . 0.0 109.289 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 73.2 mt -112.6 158.28 20.17 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 109.315 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.4 ' O ' ' C ' ' A' ' 16' ' ' GLN . 82.5 p -99.26 155.8 17.31 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.502 1.127 . . . . 0.0 110.413 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.4 ' C ' ' O ' ' A' ' 15' ' ' THR . 0.0 OUTLIER -38.97 -61.77 0.71 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 110.277 -179.952 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -45.7 -61.23 1.8 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 110.276 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.565 ' OE1' ' CE3' ' A' ' 46' ' ' TRP . 13.2 mm-40 -46.3 -63.49 0.98 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.45 1.094 . . . . 0.0 110.306 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 3.2 m -41.27 -61.72 0.98 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 110.455 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -40.19 -61.57 0.87 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 110.355 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.448 ' O ' HD11 ' A' ' 48' ' ' ILE . 7.1 mttm -40.64 -51.16 3.03 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.511 1.132 . . . . 0.0 109.292 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.452 ' CD2' ' HB3' ' A' ' 37' ' ' CYS . 1.5 mt -49.71 -59.83 3.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 0.0 109.311 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.439 HD23 ' N ' ' A' ' 23' ' ' LEU . 4.7 mt -40.15 -50.67 2.67 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 109.308 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.58 -67.86 0.22 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.13 . . . . 0.0 110.313 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.755 ' CZ ' HG21 ' A' ' 29' ' ' THR . 55.8 t80 -46.66 -58.59 3.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 111.023 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.452 ' O ' ' N ' ' A' ' 30' ' ' GLY . 1.0 OUTLIER -41.78 -57.49 2.32 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 110.35 179.969 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -55.66 -56.47 20.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 109.319 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 3.6 mt -50.67 -68.55 0.16 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.444 1.09 . . . . 0.0 109.28 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.78 HG22 ' HG2' ' A' ' 55' ' ' ARG . 27.7 p -52.88 -70.93 0.08 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 0.0 110.411 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.452 ' N ' ' O ' ' A' ' 26' ' ' GLN . . . 113.39 9.51 17.26 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.519 1.137 . . . . 0.0 110.974 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.637 HD11 ' HD3' ' A' ' 55' ' ' ARG . 12.3 mt -66.94 128.02 29.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.545 0.791 . . . . 0.0 109.275 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -73.32 -38.83 65.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 110.306 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.2 m -74.55 128.97 36.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 0.0 109.978 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 1.8 tpt -71.52 -50.75 28.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 111.012 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -47.98 -45.14 31.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 109.316 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 37.2 mt-30 -58.11 -37.33 74.36 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.136 . . . . 0.0 110.244 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.452 ' HB3' ' CD2' ' A' ' 22' ' ' LEU . 11.1 m -67.75 -73.68 0.14 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.135 . . . . 0.0 108.295 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 2.8 ttm180 -44.83 -33.06 1.79 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.434 1.084 . . . . 0.0 110.303 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 3.1 t60 -57.75 -63.83 1.11 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.628 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.852 HG22 ' HB1' ' A' ' 51' ' ' ALA . 1.4 m -52.15 -38.26 57.07 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.521 1.138 . . . . 0.0 110.422 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.522 HD21 ' CG1' ' A' ' 48' ' ' ILE . 8.9 mt -68.26 -68.1 0.42 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.118 . . . . 0.0 109.302 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -39.54 -46.96 1.83 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 110.291 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -50.87 -63.23 1.19 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.471 1.107 . . . . 0.0 110.334 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.542 ' O ' ' CB ' ' A' ' 45' ' ' ASN . 8.2 m-70 -67.63 -9.59 44.49 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.561 1.163 . . . . 0.0 109.592 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.542 ' CB ' ' O ' ' A' ' 44' ' ' HIS . 32.8 t30 86.74 57.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 109.301 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . 0.565 ' CE3' ' OE1' ' A' ' 18' ' ' GLN . 85.6 m95 45.35 57.72 4.66 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . 0.438 ' O ' ' N ' ' A' ' 50' ' ' ALA . 1.2 m120 -124.16 75.19 1.35 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.543 1.152 . . . . 0.0 109.338 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.522 ' CG1' HD21 ' A' ' 41' ' ' LEU . 89.0 mt -39.54 -51.62 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.482 1.114 . . . . 0.0 109.326 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -44.7 -44.9 9.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.455 1.097 . . . . 0.0 110.292 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.54 ' HB1' ' ND1' ' A' ' 44' ' ' HIS . . . -84.49 -57.25 3.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 109.311 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.852 ' HB1' HG22 ' A' ' 40' ' ' THR . . . -41.56 -46.13 3.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.1 . . . . 0.0 109.304 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 7.6 t -56.19 -51.46 62.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 109.293 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -56.82 -58.99 5.72 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.104 . . . . 0.0 110.275 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.406 ' HB2' ' NE2' ' A' ' 44' ' ' HIS . 0.8 OUTLIER -55.52 -30.26 60.37 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 109.277 -179.976 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.78 ' HG2' HG22 ' A' ' 29' ' ' THR . 8.4 tpt180 -70.97 -54.04 12.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 110.253 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.13 -49.43 67.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 109.329 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 18.6 m-20 -44.15 -57.12 3.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.564 1.165 . . . . 0.0 109.29 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -56.7 -32.27 65.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 110.283 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.78 -61.16 2.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.125 . . . . 0.0 110.331 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.43 -63.9 1.02 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 110.321 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -159.79 -157.78 8.8 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.558 1.161 . . . . 0.0 110.985 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 46.48 94.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 0.764 . . . . 0.0 109.983 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 142.47 95.83 0.24 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.517 1.136 . . . . 0.0 110.979 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 99.91 1.3 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.486 1.782 . . . . 0.0 111.029 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.3 m -67.09 -58.01 5.72 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.551 1.157 . . . . 0.0 110.031 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 4.2 t 66.07 164.39 0.18 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.48 1.113 . . . . 0.0 110.035 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.97 0 O-C-N 124.479 1.112 . . . . 0.0 111.027 -179.979 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 34.6 t 178.89 102.8 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 0.762 . . . . 0.0 110.016 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -167.07 93.99 0.46 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 110.015 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 52.61 90.83 0.01 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.445 1.091 . . . . 0.0 110.951 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 95.3 p -112.65 106.14 14.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 0.779 . . . . 0.0 109.976 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.3 m 63.35 169.43 0.15 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 110.009 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 92.35 56.79 1.52 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.534 1.146 . . . . 0.0 111.033 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -127.13 92.88 42.95 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.529 0.782 . . . . 0.0 109.232 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 70.92 5.18 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.497 1.788 . . . . 0.0 110.996 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -113.66 133.25 55.42 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 110.319 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 62.4 mt-10 -142.63 91.94 2.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.12 . . . . 0.0 110.302 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.29 159.26 15.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 110.288 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 -41.57 158.91 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 109.333 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.69 HD21 HH21 ' A' ' 38' ' ' ARG . 28.2 mt -105.18 168.45 9.05 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.526 1.141 . . . . 0.0 109.302 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 73.0 p -108.23 152.54 24.45 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 110.435 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 11.1 mp0 -41.3 -58.1 1.93 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 110.328 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -43.06 -61.37 1.32 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 110.336 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 82.1 mt-30 -49.37 -57.58 6.65 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 110.277 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 19.9 m -41.5 -60.78 1.21 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.54 1.15 . . . . 0.0 110.39 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -42.39 -62.06 1.05 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 0.0 110.278 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.447 ' O ' HD11 ' A' ' 48' ' ' ILE . 2.5 mttp -40.46 -50.52 2.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.327 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.481 HD22 ' SD ' ' A' ' 34' ' ' MET . 1.6 mt -49.67 -58.63 4.92 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.524 1.14 . . . . 0.0 109.332 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.444 HD23 ' N ' ' A' ' 23' ' ' LEU . 5.0 mt -41.8 -51.6 4.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 109.285 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.594 ' C ' HD12 ' A' ' 28' ' ' LEU . 0.0 OUTLIER -52.32 -68.5 0.16 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 0.0 110.24 -179.96 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.68 ' CZ ' HG21 ' A' ' 29' ' ' THR . 54.4 t80 -46.14 -57.64 4.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.109 . . . . 0.0 110.949 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.451 ' O ' ' N ' ' A' ' 30' ' ' GLY . 0.8 OUTLIER -42.96 -58.85 2.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 110.306 -179.974 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -55.84 -53.46 56.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.151 . . . . 0.0 109.327 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.594 HD12 ' C ' ' A' ' 24' ' ' GLN . 2.9 mt -51.34 -68.46 0.17 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 109.299 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.68 HG21 ' CZ ' ' A' ' 25' ' ' PHE . 36.1 p -55.41 -71.16 0.09 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.139 . . . . 0.0 110.459 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.451 ' N ' ' O ' ' A' ' 26' ' ' GLN . . . 113.46 17.56 7.54 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.504 1.127 . . . . 0.0 110.999 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.637 HD11 ' HD3' ' A' ' 55' ' ' ARG . 13.9 mt -72.5 128.0 34.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.51 0.771 . . . . 0.0 109.339 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -67.3 -65.74 0.65 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.493 1.121 . . . . 0.0 110.337 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.2 m -56.92 100.71 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 110.052 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . 0.481 ' SD ' HD22 ' A' ' 22' ' ' LEU . 0.0 OUTLIER -49.96 -36.85 29.6 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 110.982 -179.97 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -51.52 -50.3 60.25 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.501 1.126 . . . . 0.0 109.286 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 19.3 mt-30 -53.2 -45.66 68.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 110.265 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.471 ' HB3' ' CD2' ' A' ' 22' ' ' LEU . 2.0 m -53.25 -73.8 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 108.329 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.69 HH21 HD21 ' A' ' 14' ' ' LEU . 0.3 OUTLIER -39.96 -35.96 0.42 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.49 1.119 . . . . 0.0 110.32 -180.0 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 4.5 t-160 -54.41 -70.62 0.09 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.445 1.091 . . . . 0.0 109.614 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.877 HG22 ' HB1' ' A' ' 51' ' ' ALA . 1.4 m -44.95 -43.92 9.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 110.392 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.532 HD21 HG12 ' A' ' 48' ' ' ILE . 12.8 mt -62.61 -69.67 0.25 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.544 1.153 . . . . 0.0 109.298 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -38.73 -48.11 1.45 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.119 . . . . 0.0 110.321 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 5.6 mt-30 -50.97 -63.1 1.24 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 110.313 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.815 ' CE1' ' HB1' ' A' ' 50' ' ' ALA . 2.2 m-70 -67.79 -9.45 44.29 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.472 1.107 . . . . 0.0 109.628 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.527 ' CB ' ' O ' ' A' ' 44' ' ' HIS . 4.9 m-20 85.51 58.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.551 1.157 . . . . 0.0 109.319 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 84.7 m95 43.89 59.73 3.02 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . 0.446 ' O ' ' N ' ' A' ' 50' ' ' ALA . 1.9 m-20 -126.56 75.63 1.56 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 109.326 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.532 HG12 HD21 ' A' ' 41' ' ' LEU . 70.6 mt -39.73 -51.42 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 109.289 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -44.51 -44.21 8.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 0.0 110.288 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.815 ' HB1' ' CE1' ' A' ' 44' ' ' HIS . . . -85.58 -56.78 3.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.338 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.877 ' HB1' HG22 ' A' ' 40' ' ' THR . . . -41.87 -44.95 3.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 109.275 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.404 HG23 HG23 ' A' ' 48' ' ' ILE . 9.5 t -57.76 -53.81 39.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.51 1.132 . . . . 0.0 109.249 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.425 ' O ' ' N ' ' A' ' 57' ' ' ASN . 1.0 OUTLIER -57.58 -53.59 56.5 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.144 . . . . 0.0 110.296 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.413 ' HB2' ' NE2' ' A' ' 44' ' ' HIS . 40.0 t0 -60.37 -24.86 65.42 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.527 1.142 . . . . 0.0 109.259 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.66 ' HG2' HG22 ' A' ' 29' ' ' THR . 38.1 tpt85 -78.52 -57.55 3.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 110.279 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -65.72 -27.71 68.52 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.461 1.101 . . . . 0.0 109.27 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.425 ' N ' ' O ' ' A' ' 53' ' ' GLN . 83.3 m-20 -69.45 -54.82 12.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.125 . . . . 0.0 109.276 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 41.12 40.32 1.08 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.513 1.133 . . . . 0.0 110.354 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 4.7 mm100 -43.16 159.98 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.421 1.076 . . . . 0.0 110.323 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 62.13 134.95 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.529 1.143 . . . . 0.0 110.28 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -60.09 -170.31 0.48 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.504 1.127 . . . . 0.0 110.998 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.57 157.05 18.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.542 0.789 . . . . 0.0 109.98 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -128.38 178.12 17.33 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.492 1.12 . . . . 0.0 110.975 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 102.85 1.64 Allowed 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.508 1.794 . . . . 0.0 111.04 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 33.9 m -76.1 97.81 4.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 110.015 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -132.35 -58.36 0.94 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.0 110.012 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 O-C-N 124.508 1.13 . . . . 0.0 111.021 -179.983 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.019 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -121.08 149.76 42.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 0.751 . . . . 0.0 109.955 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.2 m -100.71 99.72 10.31 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 109.952 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -90.9 -76.82 1.33 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.498 1.124 . . . . 0.0 110.999 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 66.9 m 54.17 97.28 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.54 0.788 . . . . 0.0 110.004 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.6 t -145.68 -55.84 0.3 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.514 1.134 . . . . 0.0 109.987 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -82.67 145.15 23.59 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.459 1.1 . . . . 0.0 110.966 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 62.72 154.75 0.12 Allowed Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.472 0.748 . . . . 0.0 109.323 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 61.99 5.79 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.472 1.775 . . . . 0.0 111.03 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 58.6 mt-10 64.54 171.47 0.19 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.1 . . . . 0.0 110.307 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -138.68 118.67 13.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.125 . . . . 0.0 110.349 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -62.17 115.39 4.09 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.456 1.097 . . . . 0.0 110.297 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -105.64 150.21 25.63 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 109.341 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 18.8 mt -59.69 173.36 0.57 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.45 1.094 . . . . 0.0 109.281 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 71.1 p -100.74 157.91 16.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 110.384 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 8.7 mt-30 -46.27 -59.74 2.74 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 110.275 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -43.81 -62.38 1.13 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.516 1.135 . . . . 0.0 110.254 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 35.7 mt-30 -50.82 -60.49 3.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 110.29 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 11.8 m -38.88 -57.53 1.22 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.49 1.119 . . . . 0.0 110.4 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -43.61 -59.2 2.29 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.476 1.11 . . . . 0.0 110.262 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.8 mttt -42.51 -48.86 5.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 109.289 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.728 HD13 ' CE ' ' A' ' 34' ' ' MET . 1.7 mt -51.58 -60.16 3.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.281 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.451 HD23 ' N ' ' A' ' 23' ' ' LEU . 4.3 mt -40.29 -49.41 2.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 109.282 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -53.69 -67.37 0.26 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.141 . . . . 0.0 110.355 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.639 ' HZ ' HG21 ' A' ' 40' ' ' THR . 57.5 t80 -49.89 -44.5 50.07 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 0.0 110.983 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -55.31 -43.85 75.25 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.465 1.103 . . . . 0.0 110.287 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -67.61 -51.79 46.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 109.303 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.2 mt -53.1 -73.24 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.5 1.125 . . . . 0.0 109.279 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.631 HG21 ' CZ ' ' A' ' 25' ' ' PHE . 61.3 p -51.62 -68.49 0.17 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.486 1.116 . . . . 0.0 110.371 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.414 ' N ' ' OG1' ' A' ' 29' ' ' THR . . . 111.46 13.06 13.62 Favored Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.522 1.139 . . . . 0.0 111.015 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.543 HD11 ' HD3' ' A' ' 55' ' ' ARG . 12.3 mt -68.75 125.45 26.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.548 0.793 . . . . 0.0 109.268 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -72.08 -40.44 68.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 110.334 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -73.61 105.14 4.81 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 110.02 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . 0.728 ' CE ' HD13 ' A' ' 22' ' ' LEU . 0.0 OUTLIER -52.56 -49.32 65.15 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.525 1.141 . . . . 0.0 111.038 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 26.5 m-20 -46.74 -51.33 16.46 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.537 1.148 . . . . 0.0 109.274 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 15.7 mt-30 -51.03 -45.69 61.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 110.257 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.466 ' HB3' ' CD2' ' A' ' 22' ' ' LEU . 1.7 m -57.2 -73.77 0.06 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.128 . . . . 0.0 108.232 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 6.4 ttt180 -38.49 -40.5 0.57 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 110.262 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 10.5 t-160 -50.15 -67.02 0.29 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.496 1.123 . . . . 0.0 109.56 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.91 HG22 ' HB1' ' A' ' 51' ' ' ALA . 1.5 m -48.42 -47.62 37.74 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.465 1.103 . . . . 0.0 110.383 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.673 HD21 ' CG1' ' A' ' 48' ' ' ILE . 9.8 mt -58.43 -69.15 0.2 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.561 1.163 . . . . 0.0 109.332 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -38.59 -47.07 1.27 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.13 . . . . 0.0 110.319 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -50.98 -63.1 1.24 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.545 1.153 . . . . 0.0 110.275 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.7 ' CE1' ' HB1' ' A' ' 50' ' ' ALA . 4.6 m-70 -67.67 -9.67 45.47 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 0.0 109.566 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.55 ' CB ' ' O ' ' A' ' 44' ' ' HIS . 33.7 t30 87.11 56.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 0.0 109.326 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 86.2 m95 46.52 56.84 5.99 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . 0.442 ' O ' ' N ' ' A' ' 50' ' ' ALA . 1.4 m120 -124.81 75.15 1.4 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 0.0 109.269 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.673 ' CG1' HD21 ' A' ' 41' ' ' LEU . 91.7 mt -40.65 -49.45 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.516 1.135 . . . . 0.0 109.308 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -45.75 -42.85 12.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.443 1.089 . . . . 0.0 110.278 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.7 ' HB1' ' CE1' ' A' ' 44' ' ' HIS . . . -87.62 -56.9 3.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.448 1.093 . . . . 0.0 109.322 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.91 ' HB1' HG22 ' A' ' 40' ' ' THR . . . -42.85 -43.36 4.01 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.499 1.124 . . . . 0.0 109.285 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.476 HG23 HG23 ' A' ' 48' ' ' ILE . 16.9 t -57.47 -53.68 41.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.275 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 4.0 mm-40 -56.25 -53.88 52.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.147 . . . . 0.0 110.327 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.41 ' HB2' ' NE2' ' A' ' 44' ' ' HIS . 65.0 t0 -59.31 -30.66 68.51 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 109.29 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.627 ' HG2' HG22 ' A' ' 29' ' ' THR . 8.0 tpt180 -70.39 -49.52 48.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 110.329 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.449 ' O ' ' N ' ' A' ' 59' ' ' GLN . 0.4 OUTLIER -70.95 -51.79 23.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 109.335 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 7.6 m-80 -42.77 -62.57 0.97 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.487 1.117 . . . . 0.0 109.319 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 5.4 tm-20 -49.39 -29.93 7.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 0.0 110.283 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.449 ' N ' ' O ' ' A' ' 56' ' ' LEU . 0.0 OUTLIER 55.74 165.87 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.47 1.106 . . . . 0.0 110.309 -180.0 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.412 ' HG3' ' NH2' ' A' ' 55' ' ' ARG . 1.6 mt-10 -74.66 98.31 3.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 110.316 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -80.98 69.48 3.24 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.449 1.093 . . . . 0.0 111.013 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -85.68 -58.09 2.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 0.76 . . . . 0.0 109.972 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 167.31 91.09 0.08 OUTLIER Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.47 1.106 . . . . 0.0 111.015 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 169.39 22.71 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.464 1.771 . . . . 0.0 111.003 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -79.11 161.27 26.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 110.023 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 1.9 m 60.84 105.16 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 109.995 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.962 0 O-C-N 124.484 1.115 . . . . 0.0 110.986 179.947 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.018 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.4 m -85.71 98.56 10.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 0.753 . . . . 0.0 110.036 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.1 m -175.95 131.43 0.25 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.13 . . . . 0.0 109.961 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -126.7 111.57 1.42 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.463 1.102 . . . . 0.0 110.965 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 89.8 p -150.02 132.15 15.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 0.755 . . . . 0.0 110.01 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 91.1 p -158.93 141.14 13.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 0.0 110.038 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -179.7 73.29 0.07 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.451 1.094 . . . . 0.0 111.046 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -113.72 94.71 34.19 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.452 0.736 . . . . 0.0 109.307 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 56.89 4.4 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.473 1.775 . . . . 0.0 111.026 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 58.48 171.4 0.06 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.123 . . . . 0.0 110.279 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 51.1 85.73 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 0.0 110.293 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -152.17 122.66 7.31 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.514 1.134 . . . . 0.0 110.285 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -83.73 140.89 31.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.317 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 28.6 mt -65.18 171.68 3.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.576 1.172 . . . . 0.0 109.274 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 10.6 p -112.94 157.44 21.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 110.424 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -40.81 -60.97 1.04 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 110.276 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -45.41 -61.71 1.56 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.524 1.14 . . . . 0.0 110.339 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.507 ' OE1' ' CD2' ' A' ' 46' ' ' TRP . 10.6 mm100 -47.8 -64.06 0.89 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.51 1.131 . . . . 0.0 110.268 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 3.0 m -41.8 -60.53 1.34 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 110.404 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -39.83 -60.58 0.98 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 110.287 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.7 mttt -42.08 -54.36 3.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.456 1.097 . . . . 0.0 109.276 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.432 ' CD2' ' HB3' ' A' ' 37' ' ' CYS . 1.2 mt -46.09 -56.67 5.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 109.234 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.437 HD23 ' N ' ' A' ' 23' ' ' LEU . 5.5 mt -42.76 -58.76 2.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.32 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.411 ' C ' HD12 ' A' ' 28' ' ' LEU . 0.0 OUTLIER -46.67 -67.25 0.3 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 110.293 179.958 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.705 ' CZ ' HG21 ' A' ' 29' ' ' THR . 81.1 t80 -45.78 -58.52 3.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 111.002 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.424 ' O ' ' N ' ' A' ' 30' ' ' GLY . 1.0 OUTLIER -43.97 -59.52 2.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 110.311 179.964 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -50.65 -46.97 58.69 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.517 1.135 . . . . 0.0 109.263 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.411 HD12 ' C ' ' A' ' 24' ' ' GLN . 3.4 mt -58.49 -74.83 0.06 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.542 1.151 . . . . 0.0 109.299 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.705 HG21 ' CZ ' ' A' ' 25' ' ' PHE . 71.9 p -48.18 -66.09 0.46 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.477 1.11 . . . . 0.0 110.413 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.424 ' N ' ' O ' ' A' ' 26' ' ' GLN . . . 110.15 5.44 28.62 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.471 1.107 . . . . 0.0 110.975 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.434 HD11 ' HD3' ' A' ' 55' ' ' ARG . 10.2 mt -55.4 155.5 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.537 0.786 . . . . 0.0 109.316 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -98.74 -54.94 2.87 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.566 1.166 . . . . 0.0 110.292 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -67.38 104.64 1.57 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.496 1.123 . . . . 0.0 110.033 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . 0.403 ' HE2' HD13 ' A' ' 22' ' ' LEU . 0.0 OUTLIER -47.29 -42.51 21.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 111.014 -179.967 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -47.39 -57.76 4.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.107 . . . . 0.0 109.327 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -45.99 -46.04 16.14 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.464 1.102 . . . . 0.0 110.328 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.432 ' HB3' ' CD2' ' A' ' 22' ' ' LEU . 8.4 m -58.96 -73.81 0.08 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.143 . . . . 0.0 108.319 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.419 ' HG3' ' CH2' ' A' ' 46' ' ' TRP . 10.2 ttp-105 -43.02 -33.4 0.81 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 110.33 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 13.3 t-160 -61.89 -60.43 3.64 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.499 1.124 . . . . 0.0 109.631 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.878 HG22 ' HB1' ' A' ' 51' ' ' ALA . 1.0 OUTLIER -55.28 -18.11 5.74 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 110.427 179.946 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.45 ' O ' ' N ' ' A' ' 44' ' ' HIS . 9.3 mt -90.82 -67.83 0.83 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.118 . . . . 0.0 109.316 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -39.13 -43.67 1.08 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 110.318 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . 0.511 ' CG ' ' N ' ' A' ' 44' ' ' HIS . 7.7 pt20 -55.79 -47.02 77.83 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.448 1.093 . . . . 0.0 110.266 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.819 ' ND1' ' HB1' ' A' ' 50' ' ' ALA . 71.8 m-70 -83.99 -9.2 58.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.14 . . . . 0.0 109.564 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.544 ' CB ' ' O ' ' A' ' 44' ' ' HIS . 4.2 m120 85.54 46.25 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 109.26 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . 0.507 ' CD2' ' OE1' ' A' ' 18' ' ' GLN . 87.1 m95 56.78 56.59 5.34 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.538 1.149 . . . . 0.0 107.998 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . 0.449 ' O ' ' N ' ' A' ' 50' ' ' ALA . 2.3 m-20 -121.26 79.79 1.57 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.122 . . . . 0.0 109.312 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.526 HG23 ' CG2' ' A' ' 52' ' ' VAL . 32.7 mt -40.68 -47.18 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 109.301 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -49.66 -44.61 47.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.142 . . . . 0.0 110.272 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.819 ' HB1' ' ND1' ' A' ' 44' ' ' HIS . . . -82.59 -55.46 4.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.292 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.878 ' HB1' HG22 ' A' ' 40' ' ' THR . . . -45.69 -51.53 12.27 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.465 1.103 . . . . 0.0 109.309 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.526 ' CG2' HG23 ' A' ' 48' ' ' ILE . 39.4 t -51.05 -46.81 31.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 109.288 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.434 ' O ' ' N ' ' A' ' 57' ' ' ASN . 9.8 mm-40 -60.36 -65.34 0.7 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 110.274 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.414 ' HB2' ' NE2' ' A' ' 44' ' ' HIS . 5.0 t70 -50.15 -27.88 6.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 0.0 109.287 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.625 ' HG2' HG22 ' A' ' 29' ' ' THR . 38.0 tpt85 -73.03 -56.58 4.93 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.482 1.114 . . . . 0.0 110.269 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -67.39 -57.32 6.8 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.473 1.108 . . . . 0.0 109.292 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.434 ' N ' ' O ' ' A' ' 53' ' ' GLN . 7.6 m-80 -42.12 -54.21 3.69 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 109.301 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -69.95 100.11 1.53 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.127 . . . . 0.0 110.279 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 7.2 mt-30 -145.34 118.35 8.81 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.491 1.12 . . . . 0.0 110.284 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -89.43 -58.29 2.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.557 1.161 . . . . 0.0 110.291 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 173.55 -164.05 35.56 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.46 1.1 . . . . 0.0 111.051 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 58.3 p 41.55 81.12 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.448 0.734 . . . . 0.0 110.01 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -153.57 157.56 27.48 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.497 1.123 . . . . 0.0 110.994 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -45.74 0.27 Allowed 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.499 1.789 . . . . 0.0 111.014 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 4.5 t -50.15 161.29 0.29 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 110.041 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 8.8 p -147.25 -57.21 0.25 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 0.0 109.944 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 O-C-N 124.481 1.113 . . . . 0.0 111.015 -179.949 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -78.31 133.07 37.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 0.759 . . . . 0.0 110.02 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 58.38 165.45 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.55 1.156 . . . . 0.0 110.044 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -89.38 86.82 1.43 Allowed Glycine 0 CA--C 1.531 1.07 0 O-C-N 124.517 1.136 . . . . 0.0 110.974 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -165.1 112.52 0.99 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.534 0.784 . . . . 0.0 109.982 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.9 t -165.37 120.36 1.3 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.481 1.113 . . . . 0.0 110.008 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -154.29 92.77 0.13 Allowed Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.546 1.153 . . . . 0.0 111.015 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -172.77 156.1 3.21 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.461 0.742 . . . . 0.0 109.315 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -90.3 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.487 1.782 . . . . 0.0 110.954 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 58.11 169.14 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.529 1.143 . . . . 0.0 110.322 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -172.41 131.13 0.58 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 110.31 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -154.13 97.17 2.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 110.297 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 50.8 m-20 59.05 164.14 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.123 . . . . 0.0 109.348 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 12.6 mt -45.94 169.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.138 . . . . 0.0 109.299 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 7.1 p -97.41 151.94 19.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.424 1.077 . . . . 0.0 110.416 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 8.2 mt-30 -41.73 -59.68 1.59 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 110.294 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -41.58 -62.24 0.92 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.451 1.094 . . . . 0.0 110.29 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 59.7 mt-30 -46.92 -60.34 2.5 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.511 1.132 . . . . 0.0 110.262 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.9 m -41.75 -55.11 3.11 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.466 1.104 . . . . 0.0 110.38 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -47.97 -60.81 2.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 110.309 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.599 ' O ' HD11 ' A' ' 48' ' ' ILE . 2.6 mttt -41.53 -46.65 3.59 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.531 1.145 . . . . 0.0 109.317 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.547 HD22 ' HE2' ' A' ' 34' ' ' MET . 1.5 mt -52.68 -59.71 4.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 109.276 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.443 HD23 ' N ' ' A' ' 23' ' ' LEU . 5.0 mt -40.68 -52.41 2.93 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 109.336 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.631 ' NE2' HD11 ' A' ' 28' ' ' LEU . 4.5 mm100 -52.61 -68.19 0.19 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 110.305 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.54 ' CZ ' HG21 ' A' ' 29' ' ' THR . 37.2 t80 -45.78 -57.48 4.25 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.47 1.106 . . . . 0.0 111.022 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.452 ' O ' ' N ' ' A' ' 30' ' ' GLY . 1.0 OUTLIER -43.45 -58.64 2.5 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.113 . . . . 0.0 110.315 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -55.06 -56.55 18.52 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 109.28 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.631 HD11 ' NE2' ' A' ' 24' ' ' GLN . 3.3 mt -48.02 -71.78 0.06 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.442 1.089 . . . . 0.0 109.282 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.54 HG21 ' CZ ' ' A' ' 25' ' ' PHE . 24.1 p -53.45 -70.64 0.09 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.459 1.099 . . . . 0.0 110.404 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.452 ' N ' ' O ' ' A' ' 26' ' ' GLN . . . 115.11 18.2 6.42 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.528 1.142 . . . . 0.0 111.017 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.843 HD11 ' NE ' ' A' ' 55' ' ' ARG . 14.4 mt -69.91 147.23 11.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.492 0.76 . . . . 0.0 109.315 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 26.5 mm-40 -91.04 -58.34 2.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 110.252 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.75 103.78 0.47 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.49 1.119 . . . . 0.0 110.026 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . 0.547 ' HE2' HD22 ' A' ' 22' ' ' LEU . 2.1 tpt -44.89 -45.53 10.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.55 1.156 . . . . 0.0 110.992 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -50.92 -55.41 17.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.446 1.091 . . . . 0.0 109.319 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 9.6 mm100 -44.96 -37.57 4.09 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.524 1.14 . . . . 0.0 110.278 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.463 ' HB3' ' CD2' ' A' ' 22' ' ' LEU . 1.1 m -69.36 -73.65 0.15 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.533 1.146 . . . . 0.0 108.294 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.503 ' HG3' ' CZ2' ' A' ' 46' ' ' TRP . 27.5 ttp180 -40.3 -30.21 0.1 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.459 1.099 . . . . 0.0 110.278 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.412 ' N ' ' C ' ' A' ' 37' ' ' CYS . 8.6 t-160 -59.9 -68.28 0.3 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.454 1.096 . . . . 0.0 109.572 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.808 HG22 ' HB1' ' A' ' 51' ' ' ALA . 1.2 m -49.78 -32.69 14.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 110.359 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.406 ' O ' ' N ' ' A' ' 45' ' ' ASN . 12.4 mt -72.84 -68.1 0.51 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 109.293 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -39.07 -48.33 1.64 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.53 1.144 . . . . 0.0 110.307 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -50.76 -63.64 1.06 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.512 1.133 . . . . 0.0 110.291 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.765 ' CE1' ' HB1' ' A' ' 50' ' ' ALA . 2.6 m-70 -67.25 -9.89 45.11 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.537 1.148 . . . . 0.0 109.576 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.526 ' CB ' ' O ' ' A' ' 44' ' ' HIS . 7.3 m-20 85.25 58.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 109.294 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . 0.503 ' CZ2' ' HG3' ' A' ' 38' ' ' ARG . 81.5 m95 43.62 62.32 1.94 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 108.016 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . 0.446 ' O ' ' N ' ' A' ' 50' ' ' ALA . 1.2 m120 -127.74 76.76 1.7 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.511 1.132 . . . . 0.0 109.297 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.599 HD11 ' O ' ' A' ' 21' ' ' LYS . 57.6 mt -40.08 -49.68 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.548 1.155 . . . . 0.0 109.345 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -46.37 -44.57 17.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.125 . . . . 0.0 110.264 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.765 ' HB1' ' CE1' ' A' ' 44' ' ' HIS . . . -84.69 -57.64 3.04 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 109.284 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.808 ' HB1' HG22 ' A' ' 40' ' ' THR . . . -40.77 -43.59 2.03 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.561 1.163 . . . . 0.0 109.314 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 9.4 t -62.69 -48.97 85.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.538 1.149 . . . . 0.0 109.29 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.448 ' O ' ' N ' ' A' ' 57' ' ' ASN . 1.0 OUTLIER -63.8 -68.24 0.36 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.103 . . . . 0.0 110.282 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.444 ' CG ' ' NE2' ' A' ' 44' ' ' HIS . 0.5 OUTLIER -42.14 -35.38 0.92 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.271 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.843 ' NE ' HD11 ' A' ' 31' ' ' ILE . 1.6 tpt85 -66.34 -61.0 2.24 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 0.0 110.318 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.406 ' O ' ' C ' ' A' ' 57' ' ' ASN . 0.4 OUTLIER -64.35 -59.69 4.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 0.0 109.303 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.448 ' N ' ' O ' ' A' ' 53' ' ' GLN . 6.5 m-80 -39.83 -64.67 0.46 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.58 1.175 . . . . 0.0 109.329 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -75.61 80.89 2.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.543 1.152 . . . . 0.0 110.326 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 9.6 pm0 -47.74 143.74 3.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.564 1.165 . . . . 0.0 110.287 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -112.4 98.85 7.56 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.496 1.123 . . . . 0.0 110.292 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 48.45 -120.85 6.96 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.534 1.146 . . . . 0.0 111.015 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -87.7 125.93 34.69 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 0.784 . . . . 0.0 110.068 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -144.99 77.9 0.26 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.488 1.118 . . . . 0.0 110.999 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 97.8 1.11 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.491 1.785 . . . . 0.0 111.027 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -160.55 81.43 0.67 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.128 . . . . 0.0 109.974 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -142.55 136.0 28.83 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.542 1.151 . . . . 0.0 109.99 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.991 0 O-C-N 124.529 1.143 . . . . 0.0 111.008 179.99 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.022 0 N-CA-C 111.029 -0.828 . . . . 0.0 111.029 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.5 t -148.73 148.37 29.93 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 0.778 . . . . 0.0 109.957 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 61.73 166.15 0.1 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.13 . . . . 0.0 109.999 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 129.13 83.79 0.36 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.519 1.137 . . . . 0.0 110.974 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -175.44 147.21 0.84 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.457 0.739 . . . . 0.0 110.013 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.4 m -129.25 159.93 34.58 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.471 1.107 . . . . 0.0 109.993 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -179.1 72.57 0.07 OUTLIER Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.524 1.14 . . . . 0.0 110.977 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -146.21 92.76 5.2 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.518 0.775 . . . . 0.0 109.274 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 70.65 5.21 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.51 1.794 . . . . 0.0 110.971 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -81.36 123.16 28.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.442 1.089 . . . . 0.0 110.316 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -85.29 74.57 10.39 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.512 1.132 . . . . 0.0 110.288 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.2 mmp_? -144.73 144.16 31.06 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 110.273 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -44.39 162.83 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 109.315 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.475 HD21 HH21 ' A' ' 38' ' ' ARG . 13.6 mt -73.85 175.15 7.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 109.279 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 10.4 p -96.87 151.73 19.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.451 1.094 . . . . 0.0 110.449 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -39.77 -61.5 0.83 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 110.277 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -44.07 -64.98 0.57 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 110.296 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 77.2 mt-30 -48.43 -61.01 2.23 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.556 1.16 . . . . 0.0 110.285 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 15.5 m -41.77 -60.87 1.23 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.144 . . . . 0.0 110.362 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -43.81 -61.32 1.46 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 0.0 110.311 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 10.3 mttp -40.5 -57.03 1.92 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.29 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.472 HD22 ' HE3' ' A' ' 34' ' ' MET . 1.5 mt -43.6 -56.86 3.46 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.465 1.103 . . . . 0.0 109.306 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.433 HD23 ' N ' ' A' ' 23' ' ' LEU . 5.7 mt -42.54 -61.46 1.22 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 109.291 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.435 ' C ' HD12 ' A' ' 28' ' ' LEU . 0.0 OUTLIER -46.1 -62.73 1.21 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 110.266 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.552 ' CZ ' HG21 ' A' ' 29' ' ' THR . 77.6 t80 -51.98 -43.98 63.82 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.491 1.119 . . . . 0.0 111.013 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 7.7 tt0 -59.38 -40.52 86.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.148 . . . . 0.0 110.281 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -71.17 -41.56 70.23 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.555 1.159 . . . . 0.0 109.315 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.435 HD12 ' C ' ' A' ' 24' ' ' GLN . 2.7 mt -62.36 -64.46 0.92 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 109.272 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.657 HG22 ' HG2' ' A' ' 55' ' ' ARG . 41.5 p -58.37 -73.77 0.07 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.443 1.089 . . . . 0.0 110.379 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 116.46 14.37 7.6 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.499 1.124 . . . . 0.0 111.035 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.455 HD11 ' HD3' ' A' ' 55' ' ' ARG . 11.0 mt -67.31 157.03 6.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.491 0.759 . . . . 0.0 109.275 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -100.27 -48.77 4.48 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 0.0 110.289 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 18.3 m -72.27 103.56 3.42 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 110.009 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . 0.472 ' HE3' HD22 ' A' ' 22' ' ' LEU . 0.1 OUTLIER -46.77 -45.39 19.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 110.987 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -45.47 -59.36 2.75 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.464 1.102 . . . . 0.0 109.338 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 13.1 mm100 -43.44 -43.14 5.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 110.25 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.461 ' HB3' ' CD2' ' A' ' 22' ' ' LEU . 3.0 m -66.72 -73.8 0.13 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.562 1.164 . . . . 0.0 108.321 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.475 HH21 HD21 ' A' ' 14' ' ' LEU . 0.1 OUTLIER -40.12 -32.55 0.18 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.142 . . . . 0.0 110.283 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 10.4 t-160 -64.72 -60.1 3.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.574 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.855 HG22 ' HB1' ' A' ' 51' ' ' ALA . 1.0 OUTLIER -56.22 -17.92 8.83 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.458 1.099 . . . . 0.0 110.396 -179.973 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.456 ' O ' ' N ' ' A' ' 44' ' ' HIS . 8.5 mt -91.23 -66.15 0.95 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.273 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -41.97 -42.48 2.83 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 110.288 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . 0.415 ' HG3' ' N ' ' A' ' 44' ' ' HIS . 1.9 pt20 -57.13 -41.57 79.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 110.292 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.8 ' ND1' ' HB1' ' A' ' 50' ' ' ALA . 62.3 m-70 -88.07 -9.5 53.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.655 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.577 ' CB ' ' O ' ' A' ' 44' ' ' HIS . 21.9 t30 88.18 36.99 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.494 1.121 . . . . 0.0 109.324 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 85.7 m95 65.08 52.51 1.5 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 108.024 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . 0.447 ' O ' ' N ' ' A' ' 50' ' ' ALA . 0.8 OUTLIER -116.8 81.12 1.58 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.281 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.573 ' O ' HG23 ' A' ' 52' ' ' VAL . 35.7 mt -41.66 -46.03 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.438 1.086 . . . . 0.0 109.316 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -50.12 -43.17 51.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 110.328 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.8 ' HB1' ' ND1' ' A' ' 44' ' ' HIS . . . -84.57 -54.94 4.4 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 109.262 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.855 ' HB1' HG22 ' A' ' 40' ' ' THR . . . -46.4 -50.04 17.18 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 109.341 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.825 ' O ' HD12 ' A' ' 56' ' ' LEU . 41.0 t -51.41 -38.69 20.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 109.302 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.453 ' NE2' ' CG ' ' A' ' 57' ' ' ASN . 9.3 tp60 -71.55 -61.07 1.91 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 110.278 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.418 ' HB2' ' NE2' ' A' ' 44' ' ' HIS . 0.1 OUTLIER -52.54 -21.52 3.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.311 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.657 ' HG2' HG22 ' A' ' 29' ' ' THR . 4.3 tpt180 -78.61 -46.73 18.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 110.306 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.825 HD12 ' O ' ' A' ' 52' ' ' VAL . 0.4 OUTLIER -70.61 -36.88 73.74 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.555 1.16 . . . . 0.0 109.324 179.963 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.453 ' CG ' ' NE2' ' A' ' 53' ' ' GLN . 1.6 m-20 -43.45 -60.17 1.84 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 0.0 109.31 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -92.8 73.15 4.92 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.538 1.149 . . . . 0.0 110.332 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 29.8 pt20 -90.43 164.06 14.43 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.443 1.09 . . . . 0.0 110.329 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.1 pm0 -105.38 153.59 21.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 110.352 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -163.06 178.13 38.86 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.502 1.126 . . . . 0.0 110.997 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -137.47 -55.24 0.69 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.483 0.754 . . . . 0.0 109.997 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 164.47 76.81 0.03 OUTLIER Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.464 1.103 . . . . 0.0 110.997 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.05 110.04 3.04 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.552 1.817 . . . . 0.0 111.012 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 29.5 m -146.81 148.24 31.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.992 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 32.6 t 57.29 97.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.553 1.158 . . . . 0.0 109.986 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.983 0 O-C-N 124.47 1.106 . . . . 0.0 111.003 179.992 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.5 t -76.32 91.95 3.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 0.772 . . . . 0.0 110.011 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -165.33 147.11 7.58 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.512 1.132 . . . . 0.0 109.991 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -90.54 62.94 3.03 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.501 1.126 . . . . 0.0 111.009 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -160.45 115.85 2.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 0.757 . . . . 0.0 109.963 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -177.06 140.16 0.29 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 110.014 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 53.62 -142.95 28.8 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.482 1.114 . . . . 0.0 110.991 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.674 ' HB1' ' HD2' ' A' ' 9' ' ' PRO . . . -94.9 170.27 8.23 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.456 0.739 . . . . 0.0 109.338 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.674 ' HD2' ' HB1' ' A' ' 8' ' ' ALA . 18.2 Cg_endo -74.99 73.59 4.27 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.526 1.803 . . . . 0.0 110.975 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -106.01 1.43 26.49 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.13 . . . . 0.0 110.32 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 58.17 77.45 0.29 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.467 1.104 . . . . 0.0 110.256 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -77.6 144.64 37.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 0.0 110.283 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -61.0 159.53 11.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 109.262 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 38.2 mt -54.55 169.84 0.18 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.518 1.136 . . . . 0.0 109.313 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 15.3 p -108.46 156.95 18.88 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.463 1.102 . . . . 0.0 110.394 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 18.3 mt-30 -44.5 -53.25 7.17 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 0.0 110.339 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -47.98 -60.97 2.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 110.309 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.401 ' NE2' ' NE1' ' A' ' 46' ' ' TRP . 72.8 mt-30 -49.09 -57.67 6.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 110.296 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 19.2 m -40.93 -60.5 1.17 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 110.395 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -45.88 -59.27 2.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.104 . . . . 0.0 110.323 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.628 ' O ' HD11 ' A' ' 48' ' ' ILE . 1.0 OUTLIER -42.11 -46.12 4.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.546 1.154 . . . . 0.0 109.326 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.503 ' HA ' HD23 ' A' ' 22' ' ' LEU . 0.9 OUTLIER -53.56 -59.9 4.0 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.477 1.111 . . . . 0.0 109.32 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.448 HD23 ' N ' ' A' ' 23' ' ' LEU . 4.8 mt -40.83 -49.1 3.16 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.128 . . . . 0.0 109.308 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.635 ' NE2' HD11 ' A' ' 28' ' ' LEU . 0.0 OUTLIER -54.69 -67.75 0.24 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 110.262 -179.973 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.626 ' CZ ' HG21 ' A' ' 29' ' ' THR . 26.8 t80 -45.95 -57.65 4.22 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.142 . . . . 0.0 110.965 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -46.89 -59.39 3.11 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 110.296 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -52.54 -47.26 66.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.57 1.169 . . . . 0.0 109.349 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.635 HD11 ' NE2' ' A' ' 24' ' ' GLN . 4.8 mt -61.69 -78.07 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.564 1.165 . . . . 0.0 109.311 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.626 HG21 ' CZ ' ' A' ' 25' ' ' PHE . 81.9 p -43.09 -61.45 1.31 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 110.383 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 105.4 7.51 37.16 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.472 1.108 . . . . 0.0 110.994 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.801 HD11 ' NE ' ' A' ' 55' ' ' ARG . 22.0 mt -58.02 129.94 20.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.535 0.785 . . . . 0.0 109.292 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.414 ' HG3' ' N ' ' A' ' 33' ' ' SER . 8.1 pt-20 -77.81 -31.05 51.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 110.304 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.446 ' O ' HG22 ' A' ' 31' ' ' ILE . 0.4 OUTLIER -85.58 115.17 23.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.557 1.161 . . . . 0.0 110.003 -179.976 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . 0.481 ' HE2' HD13 ' A' ' 22' ' ' LEU . 2.4 tpt -58.25 -53.56 56.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 110.995 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -46.78 -50.77 17.72 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 109.297 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 10.3 mm100 -49.97 -44.53 50.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.132 . . . . 0.0 110.287 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.477 ' HB3' ' CD2' ' A' ' 22' ' ' LEU . 1.2 m -58.64 -73.64 0.08 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.104 . . . . 0.0 108.26 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.408 ' HG3' ' CH2' ' A' ' 46' ' ' TRP . 32.4 ttp180 -40.91 -38.41 0.95 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 110.332 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 9.8 t-160 -50.78 -71.08 0.07 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 109.579 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.975 HG22 ' HB1' ' A' ' 51' ' ' ALA . 1.2 m -44.75 -44.63 9.41 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.536 1.147 . . . . 0.0 110.38 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.544 HD21 ' CG1' ' A' ' 48' ' ' ILE . 15.0 mt -61.01 -69.97 0.21 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.45 1.094 . . . . 0.0 109.275 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -38.23 -46.46 1.08 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.512 1.133 . . . . 0.0 110.296 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 2.7 mm-40 -51.37 -61.46 2.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 110.354 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.787 ' CE1' ' HB1' ' A' ' 50' ' ' ALA . 2.3 m-70 -70.69 -9.18 56.56 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.538 1.149 . . . . 0.0 109.624 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.547 ' CB ' ' O ' ' A' ' 44' ' ' HIS . 1.6 m-20 85.67 58.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.122 . . . . 0.0 109.302 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . 0.408 ' CH2' ' HG3' ' A' ' 38' ' ' ARG . 85.1 m95 45.32 61.83 2.41 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 0.0 108.043 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . 0.448 ' O ' ' N ' ' A' ' 50' ' ' ALA . 3.5 m-20 -129.99 75.31 1.64 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.543 1.152 . . . . 0.0 109.279 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.628 HD11 ' O ' ' A' ' 21' ' ' LYS . 76.4 mt -40.74 -49.03 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 0.0 109.281 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.406 ' O ' ' CD ' ' A' ' 53' ' ' GLN . 1.1 mm-40 -46.22 -42.56 14.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 110.322 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.787 ' HB1' ' CE1' ' A' ' 44' ' ' HIS . . . -87.62 -56.56 3.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.279 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.975 ' HB1' HG22 ' A' ' 40' ' ' THR . . . -43.27 -42.46 4.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.112 . . . . 0.0 109.267 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.475 HG23 HG23 ' A' ' 48' ' ' ILE . 22.7 t -60.39 -44.77 96.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 109.28 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.459 ' O ' ' N ' ' A' ' 57' ' ' ASN . 0.4 OUTLIER -67.26 -68.35 0.39 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 110.319 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.414 ' HB2' ' NE2' ' A' ' 44' ' ' HIS . 1.0 OUTLIER -41.8 -29.81 0.22 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 0.0 109.308 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.801 ' NE ' HD11 ' A' ' 31' ' ' ILE . 3.1 tpt85 -72.87 -58.4 3.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 110.31 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.469 HD12 ' O ' ' A' ' 52' ' ' VAL . 0.4 OUTLIER -68.04 -57.7 5.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.284 179.988 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.459 ' N ' ' O ' ' A' ' 53' ' ' GLN . 3.8 m-80 -39.21 -62.6 0.63 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 0.0 109.353 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -86.25 86.47 7.34 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.493 1.121 . . . . 0.0 110.275 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.18 -58.85 6.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 110.286 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 68.15 124.65 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 110.296 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 81.54 109.27 0.36 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.506 1.129 . . . . 0.0 111.003 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 8.4 t -162.06 169.14 21.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 0.755 . . . . 0.0 109.999 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -66.92 -155.43 0.41 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.529 1.143 . . . . 0.0 111.02 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 75.34 3.73 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.494 1.786 . . . . 0.0 110.969 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 3.7 m -149.37 101.66 3.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 110.001 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 4.0 m 61.76 165.11 0.09 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.13 . . . . 0.0 109.953 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.966 0 O-C-N 124.489 1.118 . . . . 0.0 111.012 179.979 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.029 0 N-CA-C 111.043 -0.823 . . . . 0.0 111.043 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.7 t -79.98 122.07 26.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 0.764 . . . . 0.0 109.996 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -149.95 104.56 3.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 110.003 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -52.22 109.01 0.76 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.527 1.142 . . . . 0.0 110.951 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 90.5 p -145.05 165.99 26.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 0.745 . . . . 0.0 109.999 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -149.43 142.81 25.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.551 1.157 . . . . 0.0 110.004 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 50.54 98.19 0.01 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.504 1.127 . . . . 0.0 111.015 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -172.16 154.69 3.39 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.51 0.771 . . . . 0.0 109.307 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 87.21 1.34 Allowed 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.482 1.78 . . . . 0.0 110.998 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -111.42 162.51 14.98 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 0.0 110.285 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -113.33 173.64 6.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 0.0 110.273 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 64.04 168.03 0.16 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.139 . . . . 0.0 110.286 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -44.97 165.27 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.281 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.428 HD13 ' HH2' ' A' ' 46' ' ' TRP . 15.8 mt -55.0 -176.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.136 . . . . 0.0 109.302 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 7.1 p -103.77 151.23 23.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 110.412 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -38.96 -61.5 0.73 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 110.319 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -44.4 -58.33 3.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 110.284 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 14.5 mm100 -50.3 -63.47 1.11 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 110.329 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.9 m -42.13 -44.27 3.6 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.478 1.111 . . . . 0.0 110.409 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.411 ' HG2' ' N ' ' A' ' 21' ' ' LYS . 0.0 OUTLIER -56.44 -46.66 80.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 110.284 -179.968 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.728 ' O ' HD11 ' A' ' 48' ' ' ILE . 8.6 mttp -56.03 -36.54 68.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.249 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.848 HD22 ' HE2' ' A' ' 34' ' ' MET . 2.5 mt -62.98 -57.03 12.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.322 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.433 HD23 ' N ' ' A' ' 23' ' ' LEU . 4.9 mt -41.52 -50.3 3.98 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 0.0 109.314 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.521 ' C ' HD12 ' A' ' 28' ' ' LEU . 0.9 OUTLIER -52.7 -68.03 0.2 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.502 1.126 . . . . 0.0 110.29 -179.959 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.83 ' CZ ' HG21 ' A' ' 29' ' ' THR . 59.8 t80 -48.01 -58.6 4.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 110.97 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.435 ' O ' ' N ' ' A' ' 30' ' ' GLY . 1.1 tt0 -40.87 -57.77 1.87 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 110.265 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -56.15 -56.24 23.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.316 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.521 HD12 ' C ' ' A' ' 24' ' ' GLN . 2.8 mt -50.71 -68.54 0.16 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.276 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.83 HG21 ' CZ ' ' A' ' 25' ' ' PHE . 27.2 p -52.7 -71.27 0.07 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 110.348 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.435 ' N ' ' O ' ' A' ' 26' ' ' GLN . . . 114.86 12.75 9.89 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.508 1.13 . . . . 0.0 111.031 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.499 HD11 ' HD3' ' A' ' 55' ' ' ARG . 18.5 mt -70.06 148.54 11.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.482 0.754 . . . . 0.0 109.304 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -92.34 -58.1 2.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 110.297 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.97 106.78 0.75 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 109.99 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . 0.848 ' HE2' HD22 ' A' ' 22' ' ' LEU . 2.4 tpt -49.29 -41.62 38.7 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.46 1.1 . . . . 0.0 110.974 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -51.08 -49.52 60.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 109.297 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 13.8 mt-30 -53.12 -41.05 64.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.12 . . . . 0.0 110.282 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.47 ' HB3' ' CD2' ' A' ' 22' ' ' LEU . 3.3 m -65.65 -73.86 0.12 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 108.261 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 21.5 ttt180 -39.41 -33.93 0.18 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 0.0 110.291 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 3.9 t60 -60.2 -64.77 0.83 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.603 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.723 HG22 ' HB1' ' A' ' 51' ' ' ALA . 2.5 m -49.96 -36.01 26.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 110.421 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 8.4 mt -72.11 -69.79 0.37 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 109.326 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.42 ' HG2' ' NE1' ' A' ' 46' ' ' TRP . 3.1 mm-40 -38.9 -43.32 0.94 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 110.29 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.21 -61.06 2.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.1 . . . . 0.0 110.311 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.722 ' ND1' ' HB1' ' A' ' 50' ' ' ALA . 5.1 m-70 -70.81 -9.61 57.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.096 . . . . 0.0 109.594 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.551 ' CB ' ' O ' ' A' ' 44' ' ' HIS . 10.3 t-20 87.26 57.17 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.536 1.148 . . . . 0.0 109.307 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . 0.428 ' HH2' HD13 ' A' ' 14' ' ' LEU . 85.5 m95 45.71 60.46 3.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.106 . . . . 0.0 108.018 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . 0.443 ' O ' ' N ' ' A' ' 50' ' ' ALA . 1.3 m-20 -127.48 76.64 1.68 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.131 . . . . 0.0 109.29 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.728 HD11 ' O ' ' A' ' 21' ' ' LYS . 58.1 mt -39.03 -51.07 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.472 1.108 . . . . 0.0 109.322 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -45.83 -46.49 15.6 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 110.286 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.722 ' HB1' ' ND1' ' A' ' 44' ' ' HIS . . . -82.0 -56.69 3.8 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 109.271 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.723 ' HB1' HG22 ' A' ' 40' ' ' THR . . . -42.08 -49.41 4.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 109.292 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 13.6 t -51.05 -44.93 29.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.302 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.433 ' N ' ' O ' ' A' ' 50' ' ' ALA . 0.9 OUTLIER -64.42 -61.54 2.16 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.537 1.148 . . . . 0.0 110.27 -179.961 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.424 ' HB2' ' CD2' ' A' ' 44' ' ' HIS . 18.3 t0 -51.16 -23.73 3.54 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.127 . . . . 0.0 109.297 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.665 ' HG2' HG22 ' A' ' 29' ' ' THR . 38.8 tpt85 -78.5 -56.69 4.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.118 . . . . 0.0 110.329 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -66.62 -57.63 6.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.25 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.408 ' N ' ' O ' ' A' ' 53' ' ' GLN . 64.5 m-20 -40.37 -54.02 2.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 0.0 109.313 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 47.28 66.65 0.96 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.539 1.149 . . . . 0.0 110.306 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -73.26 122.01 21.28 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 110.326 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 47.11 88.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.138 . . . . 0.0 110.285 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 179.67 112.32 0.34 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.461 1.1 . . . . 0.0 111.023 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 20.5 m -125.91 148.15 49.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 0.783 . . . . 0.0 109.99 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 173.57 99.1 0.12 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.472 1.108 . . . . 0.0 111.031 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 166.28 29.55 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.514 1.797 . . . . 0.0 111.007 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 178.99 85.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 110.002 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -176.83 167.09 2.56 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 109.966 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 O-C-N 124.462 1.101 . . . . 0.0 110.984 -179.992 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.975 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.4 p -109.79 153.07 24.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 0.759 . . . . 0.0 110.038 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.5 p -166.95 120.08 0.99 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 110.009 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 87.03 70.74 1.3 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.527 1.142 . . . . 0.0 111.013 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 71.17 -60.46 0.51 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 0.761 . . . . 0.0 109.97 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 66.4 m -162.49 138.95 7.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.541 1.15 . . . . 0.0 110.009 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -83.3 133.42 11.88 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.535 1.147 . . . . 0.0 111.017 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -114.52 154.79 46.57 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.498 0.764 . . . . 0.0 109.275 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 78.37 2.91 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.52 1.8 . . . . 0.0 110.97 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 57.35 170.81 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.543 1.152 . . . . 0.0 110.336 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER 63.93 101.9 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.465 1.103 . . . . 0.0 110.267 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -60.01 167.36 2.32 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.129 . . . . 0.0 110.269 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -172.52 148.45 1.99 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 109.262 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 42.7 mt -72.13 152.51 42.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 109.337 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.435 ' OG1' ' N ' ' A' ' 16' ' ' GLN . 0.2 OUTLIER -114.64 170.61 8.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 110.386 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.435 ' N ' ' OG1' ' A' ' 15' ' ' THR . 1.6 tm0? -54.79 -18.99 5.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.454 1.096 . . . . 0.0 110.323 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -79.67 -61.74 1.9 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.514 1.134 . . . . 0.0 110.32 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 14.3 mm100 -45.45 -54.76 6.94 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.533 1.146 . . . . 0.0 110.3 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 17.6 m -44.28 -55.11 5.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 110.389 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -44.48 -59.85 2.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.442 1.089 . . . . 0.0 110.294 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.621 ' O ' HD11 ' A' ' 48' ' ' ILE . 0.3 OUTLIER -44.18 -44.7 7.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.427 1.08 . . . . 0.0 109.317 179.975 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.461 ' CD2' ' HB3' ' A' ' 37' ' ' CYS . 0.8 OUTLIER -55.43 -59.0 5.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.434 1.084 . . . . 0.0 109.278 -179.976 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.438 HD23 ' N ' ' A' ' 23' ' ' LEU . 5.3 mt -40.36 -50.04 2.81 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.432 1.083 . . . . 0.0 109.333 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.86 -67.49 0.25 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 110.233 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.631 ' HZ ' HG21 ' A' ' 40' ' ' THR . 38.1 t80 -47.66 -52.11 19.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.455 1.097 . . . . 0.0 110.999 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -54.03 -41.3 67.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 110.279 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -71.78 -36.37 70.33 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.461 1.101 . . . . 0.0 109.299 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 3.8 mt -69.68 -63.78 1.01 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.509 1.131 . . . . 0.0 109.317 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.554 HG21 ' CZ ' ' A' ' 25' ' ' PHE . 28.3 p -62.98 -72.16 0.14 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 110.372 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 114.54 16.35 7.64 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.512 1.133 . . . . 0.0 110.974 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.877 HD11 ' NE ' ' A' ' 55' ' ' ARG . 18.0 mt -68.9 127.42 30.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.529 0.782 . . . . 0.0 109.306 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.86 -52.17 27.13 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.465 1.103 . . . . 0.0 110.304 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -63.56 113.12 3.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.098 . . . . 0.0 110.002 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.53 -49.24 78.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 111.002 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -50.23 -42.21 51.35 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.128 . . . . 0.0 109.273 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.554 ' HB3' HG21 ' A' ' 31' ' ' ILE . 10.4 mt-30 -59.55 -31.09 69.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.107 . . . . 0.0 110.284 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.461 ' HB3' ' CD2' ' A' ' 22' ' ' LEU . 1.6 m -75.62 -74.02 0.23 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 108.296 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.475 ' HG3' ' CZ2' ' A' ' 46' ' ' TRP . 35.3 ttp180 -40.04 -30.21 0.09 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 110.295 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.414 ' N ' ' C ' ' A' ' 37' ' ' CYS . 8.9 t60 -61.53 -69.73 0.23 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 109.614 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.994 HG22 ' HB1' ' A' ' 51' ' ' ALA . 1.2 m -46.3 -31.94 2.84 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 110.37 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.498 HD21 HG12 ' A' ' 48' ' ' ILE . 19.7 mt -76.34 -70.53 0.44 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 109.326 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.411 ' HG2' ' NE1' ' A' ' 46' ' ' TRP . 2.4 mm-40 -38.9 -43.44 0.95 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 110.311 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -49.69 -65.87 0.49 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.505 1.128 . . . . 0.0 110.255 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.616 ' CE1' ' HB1' ' A' ' 50' ' ' ALA . 2.2 m-70 -69.16 -9.43 52.84 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 109.639 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.589 ' CB ' ' O ' ' A' ' 44' ' ' HIS . 23.9 t30 88.76 59.89 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 109.292 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . 0.475 ' CZ2' ' HG3' ' A' ' 38' ' ' ARG . 82.8 m95 44.87 62.81 1.94 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 107.979 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . 0.464 ' O ' ' N ' ' A' ' 50' ' ' ALA . 0.8 OUTLIER -129.8 76.92 1.76 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 109.302 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.621 HD11 ' O ' ' A' ' 21' ' ' LYS . 49.1 mt -39.71 -51.44 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 109.306 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -45.96 -43.46 14.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 110.278 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.616 ' HB1' ' CE1' ' A' ' 44' ' ' HIS . . . -84.05 -58.1 2.91 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.526 1.141 . . . . 0.0 109.276 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.994 ' HB1' HG22 ' A' ' 40' ' ' THR . . . -41.77 -46.4 3.85 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.31 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.44 ' O ' HD12 ' A' ' 56' ' ' LEU . 14.0 t -59.86 -45.72 94.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.455 1.097 . . . . 0.0 109.279 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.461 ' O ' ' N ' ' A' ' 57' ' ' ASN . 2.9 mm-40 -66.4 -65.24 0.7 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 110.327 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.418 ' HB2' ' NE2' ' A' ' 44' ' ' HIS . 24.6 t0 -45.8 -26.02 0.6 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 109.281 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.877 ' NE ' HD11 ' A' ' 31' ' ' ILE . 0.5 OUTLIER -77.88 -59.22 2.87 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.532 1.145 . . . . 0.0 110.349 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.44 HD12 ' O ' ' A' ' 52' ' ' VAL . 0.4 OUTLIER -66.29 -58.88 4.39 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.498 1.123 . . . . 0.0 109.354 179.957 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.461 ' N ' ' O ' ' A' ' 53' ' ' GLN . 44.1 m-20 -39.93 -63.99 0.54 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.132 . . . . 0.0 109.304 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -71.72 105.47 3.74 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 110.291 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 3.8 tt0 69.24 128.39 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 0.0 110.328 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -150.38 127.75 11.41 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.456 1.097 . . . . 0.0 110.3 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -86.51 67.13 3.51 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.467 1.104 . . . . 0.0 110.989 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -162.08 160.46 27.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 0.764 . . . . 0.0 109.988 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -52.84 171.86 0.47 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.489 1.118 . . . . 0.0 110.995 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 133.46 16.61 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.542 1.812 . . . . 0.0 111.021 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 44.6 t -107.52 132.07 53.64 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.52 1.138 . . . . 0.0 110.016 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 86.2 p -103.76 140.18 37.98 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 109.983 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 O-C-N 124.512 1.132 . . . . 0.0 110.999 179.96 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -129.7 163.35 26.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 0.751 . . . . 0.0 110.008 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -105.07 -58.78 1.84 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 110.038 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 50.88 65.59 2.97 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.46 1.1 . . . . 0.0 111.023 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.1 t -174.82 158.63 2.64 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.463 0.743 . . . . 0.0 110.017 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.1 t -162.32 -59.88 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 110.01 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 176.5 89.03 0.07 OUTLIER Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.527 1.142 . . . . 0.0 110.976 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -144.13 93.38 6.01 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.541 0.789 . . . . 0.0 109.251 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 64.22 6.04 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.529 1.805 . . . . 0.0 110.978 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -90.75 125.26 35.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 1.139 . . . . 0.0 110.34 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -39.64 151.47 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.431 1.082 . . . . 0.0 110.287 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 62.99 112.51 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 110.307 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.403 ' O ' ' C ' ' A' ' 14' ' ' LEU . 0.4 OUTLIER -142.27 17.09 2.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.135 . . . . 0.0 109.331 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.649 HD13 ' HH2' ' A' ' 46' ' ' TRP . 45.3 mt -39.6 153.55 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 109.284 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 12.7 p -96.16 159.85 14.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.438 1.086 . . . . 0.0 110.373 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 22.5 mp0 -38.41 -57.48 1.13 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.544 1.152 . . . . 0.0 110.312 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -45.64 -59.95 2.47 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.537 1.148 . . . . 0.0 110.332 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.517 ' NE2' ' CE2' ' A' ' 46' ' ' TRP . 73.6 mt-30 -58.54 -59.73 4.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 110.309 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 18.0 m -42.08 -60.64 1.36 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.143 . . . . 0.0 110.398 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -48.64 -60.43 2.72 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.556 1.16 . . . . 0.0 110.3 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.577 ' O ' HD11 ' A' ' 48' ' ' ILE . 1.4 mttm -40.23 -48.94 2.67 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.53 1.144 . . . . 0.0 109.321 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.471 ' CD2' ' HB3' ' A' ' 37' ' ' CYS . 2.5 mt -50.84 -60.24 3.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 109.339 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.438 HD23 ' N ' ' A' ' 23' ' ' LEU . 4.7 mt -40.46 -51.33 2.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.322 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.662 ' NE2' HD11 ' A' ' 28' ' ' LEU . 4.2 mm100 -52.94 -67.97 0.21 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.494 1.121 . . . . 0.0 110.303 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.639 ' CZ ' HG21 ' A' ' 29' ' ' THR . 60.8 t80 -49.5 -51.9 33.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 111.017 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 4.9 tt0 -52.2 -38.65 58.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 110.319 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -72.91 -49.63 28.51 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 109.264 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.662 HD11 ' NE2' ' A' ' 24' ' ' GLN . 2.8 mt -57.2 -64.26 0.94 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.514 1.134 . . . . 0.0 109.327 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.639 HG21 ' CZ ' ' A' ' 25' ' ' PHE . 67.4 p -59.71 -69.27 0.22 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.449 1.093 . . . . 0.0 110.403 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 108.99 24.96 5.81 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.496 1.122 . . . . 0.0 110.985 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.844 HD11 ' NE ' ' A' ' 55' ' ' ARG . 20.7 mt -75.83 134.69 28.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.505 0.767 . . . . 0.0 109.271 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -74.19 -60.86 2.07 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 110.255 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 19.9 m -64.58 111.65 2.81 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.553 1.158 . . . . 0.0 110.01 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . 0.467 ' HE2' HD13 ' A' ' 22' ' ' LEU . 0.1 OUTLIER -55.64 -38.76 69.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.143 . . . . 0.0 110.973 -179.963 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -50.43 -49.26 55.35 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.142 . . . . 0.0 109.283 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 14.6 mt-30 -53.54 -42.83 67.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 110.346 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.471 ' HB3' ' CD2' ' A' ' 22' ' ' LEU . 1.8 m -61.42 -73.44 0.1 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.454 1.096 . . . . 0.0 108.312 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 6.7 ttp180 -38.73 -33.48 0.11 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.132 . . . . 0.0 110.271 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 9.2 t-160 -59.29 -70.12 0.17 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.595 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 1.01 HG22 ' HB1' ' A' ' 51' ' ' ALA . 1.4 m -46.21 -36.15 5.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 110.423 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.497 HD21 HG12 ' A' ' 48' ' ' ILE . 12.5 mt -71.12 -70.21 0.32 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.467 1.104 . . . . 0.0 109.25 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -38.36 -47.42 1.23 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.541 1.15 . . . . 0.0 110.317 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -50.41 -64.08 0.92 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.479 1.112 . . . . 0.0 110.336 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.733 ' ND1' ' HB1' ' A' ' 50' ' ' ALA . 4.4 m-70 -68.81 -9.59 52.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.133 . . . . 0.0 109.604 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.543 ' CB ' ' O ' ' A' ' 44' ' ' HIS . 4.4 m120 85.34 60.69 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 0.0 109.286 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . 0.649 ' HH2' HD13 ' A' ' 14' ' ' LEU . 81.3 m95 42.91 62.19 1.87 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 107.995 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . 0.44 ' O ' ' N ' ' A' ' 50' ' ' ALA . 2.6 m-20 -128.61 75.74 1.66 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 109.276 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.577 HD11 ' O ' ' A' ' 21' ' ' LYS . 11.2 mt -39.87 -48.81 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.454 1.096 . . . . 0.0 109.274 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -47.37 -45.76 25.29 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.547 1.154 . . . . 0.0 110.308 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.733 ' HB1' ' ND1' ' A' ' 44' ' ' HIS . . . -83.39 -57.08 3.4 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.442 1.088 . . . . 0.0 109.285 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 1.01 ' HB1' HG22 ' A' ' 40' ' ' THR . . . -42.27 -46.14 4.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.45 1.094 . . . . 0.0 109.294 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.496 HG23 ' O ' ' A' ' 48' ' ' ILE . 22.4 t -55.5 -45.54 78.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.538 1.149 . . . . 0.0 109.337 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.462 ' O ' ' N ' ' A' ' 57' ' ' ASN . 70.4 mm-40 -65.95 -68.18 0.39 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 110.308 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.423 ' HB2' ' NE2' ' A' ' 44' ' ' HIS . 1.2 t70 -41.2 -29.11 0.12 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.459 1.099 . . . . 0.0 109.307 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.844 ' NE ' HD11 ' A' ' 31' ' ' ILE . 5.2 tpt85 -75.34 -58.86 3.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.536 1.147 . . . . 0.0 110.334 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.438 HD12 ' O ' ' A' ' 52' ' ' VAL . 0.5 OUTLIER -69.9 -61.58 1.72 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.135 . . . . 0.0 109.339 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.462 ' N ' ' O ' ' A' ' 53' ' ' GLN . 48.0 m-20 -39.64 -51.66 2.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 109.29 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 44.12 68.45 0.53 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.515 1.134 . . . . 0.0 110.251 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 12.7 tt0 -106.09 70.28 0.84 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.52 1.138 . . . . 0.0 110.281 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -92.58 -63.75 1.19 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.134 . . . . 0.0 110.314 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 67.8 134.7 0.05 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.526 1.141 . . . . 0.0 110.967 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -154.73 165.41 36.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 0.761 . . . . 0.0 110.027 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 150.43 75.0 0.01 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.51 1.131 . . . . 0.0 110.96 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 171.03 19.11 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.508 1.794 . . . . 0.0 111.006 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -149.9 95.01 2.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.142 . . . . 0.0 109.995 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -92.0 149.4 21.55 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 109.996 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.013 0 O-C-N 124.523 1.139 . . . . 0.0 110.999 179.974 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.3 p -135.28 95.07 3.21 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.532 0.784 . . . . 0.0 110.007 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -165.24 157.86 15.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 109.995 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -89.79 126.5 8.31 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.43 1.081 . . . . 0.0 111.023 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.2 t -162.17 135.45 6.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 0.765 . . . . 0.0 110.015 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 90.2 p -80.78 172.57 13.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 109.984 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.497 ' O ' ' HB2' ' A' ' 8' ' ' ALA . . . -119.31 112.43 2.28 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.519 1.137 . . . . 0.0 110.992 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.497 ' HB2' ' O ' ' A' ' 7' ' ' GLY . . . 176.05 93.36 0.1 OUTLIER Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.51 0.77 . . . . 0.0 109.272 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 56.68 4.34 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.493 1.786 . . . . 0.0 111.026 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 55.41 169.22 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.436 1.085 . . . . 0.0 110.324 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 63.58 157.08 0.07 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.113 . . . . 0.0 110.295 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 2.1 mtp180 57.34 101.84 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 110.279 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 16.2 p30 -123.21 161.92 23.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 109.335 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 40.6 mt -49.08 163.66 0.08 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 109.329 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 43.6 p -112.15 163.88 13.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.118 . . . . 0.0 110.373 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -43.72 -56.77 3.58 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.533 1.146 . . . . 0.0 110.318 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -42.03 -64.54 0.57 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.535 1.147 . . . . 0.0 110.296 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 86.7 mt-30 -50.83 -59.17 4.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 110.328 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.401 ' O ' ' C ' ' A' ' 20' ' ' GLU . 5.2 m -41.87 -65.51 0.44 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 110.392 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.401 ' C ' ' O ' ' A' ' 19' ' ' THR . 2.9 tt0 -39.0 -61.99 0.68 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.443 1.09 . . . . 0.0 110.3 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 7.1 mttt -41.68 -60.03 1.47 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.439 1.087 . . . . 0.0 109.318 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.466 ' CD2' ' HB3' ' A' ' 37' ' ' CYS . 1.1 mt -41.57 -54.15 3.28 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.488 1.118 . . . . 0.0 109.304 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.432 HD23 ' N ' ' A' ' 23' ' ' LEU . 5.8 mt -44.47 -63.42 0.9 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 0.0 109.291 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.544 ' NE2' HD11 ' A' ' 28' ' ' LEU . 0.0 OUTLIER -45.56 -63.88 0.85 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 110.249 -179.972 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.732 ' CZ ' HG21 ' A' ' 29' ' ' THR . 80.6 t80 -45.04 -59.75 2.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 111.02 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.442 ' O ' ' N ' ' A' ' 30' ' ' GLY . 1.0 OUTLIER -42.94 -59.15 2.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 0.0 110.298 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -51.9 -42.04 62.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 109.332 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.544 HD11 ' NE2' ' A' ' 24' ' ' GLN . 3.3 mt -63.94 -62.95 1.31 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 109.341 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.732 HG21 ' CZ ' ' A' ' 25' ' ' PHE . 74.6 p -62.71 -76.32 0.06 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.537 1.148 . . . . 0.0 110.395 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.442 ' N ' ' O ' ' A' ' 26' ' ' GLN . . . 116.59 14.01 7.72 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.463 1.102 . . . . 0.0 111.038 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.8 HD11 ' HD3' ' A' ' 55' ' ' ARG . 16.1 mt -67.8 135.81 27.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.428 0.723 . . . . 0.0 109.295 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -76.01 -61.0 2.08 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.543 1.152 . . . . 0.0 110.264 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -60.97 103.32 0.26 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.553 1.158 . . . . 0.0 110.055 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -47.19 -49.31 23.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 111.027 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -42.87 -55.97 3.46 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.46 1.1 . . . . 0.0 109.279 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.46 ' HB3' HG21 ' A' ' 31' ' ' ILE . 6.6 mt-30 -45.38 -42.82 10.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 110.331 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.466 ' HB3' ' CD2' ' A' ' 22' ' ' LEU . 1.3 m -65.71 -73.79 0.12 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.145 . . . . 0.0 108.264 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.422 ' HG3' ' CZ2' ' A' ' 46' ' ' TRP . 22.1 ttt180 -40.77 -29.97 0.11 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.135 . . . . 0.0 110.284 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.412 ' N ' ' C ' ' A' ' 37' ' ' CYS . 5.8 t60 -65.93 -55.38 17.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 109.616 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.867 HG22 ' HB1' ' A' ' 51' ' ' ALA . 1.0 OUTLIER -60.75 -18.21 53.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 110.413 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.453 ' O ' ' N ' ' A' ' 44' ' ' HIS . 9.3 mt -91.27 -65.01 1.05 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.101 . . . . 0.0 109.297 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -42.26 -42.54 3.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 110.29 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . 0.41 ' HG3' ' N ' ' A' ' 44' ' ' HIS . 11.3 pt20 -57.53 -41.26 80.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 110.265 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.796 ' ND1' ' HB1' ' A' ' 50' ' ' ALA . 54.6 m-70 -87.87 -9.45 53.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 109.614 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.575 ' CB ' ' O ' ' A' ' 44' ' ' HIS . 20.2 t30 88.04 36.38 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 109.295 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . 0.422 ' CZ2' ' HG3' ' A' ' 38' ' ' ARG . 88.4 m95 65.84 52.19 1.3 Allowed 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . 0.448 ' O ' ' N ' ' A' ' 50' ' ' ALA . 1.2 m-20 -116.7 81.98 1.72 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.565 1.166 . . . . 0.0 109.265 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.59 HG23 HG23 ' A' ' 52' ' ' VAL . 43.4 mt -43.18 -46.93 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.112 . . . . 0.0 109.316 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -49.01 -38.71 24.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.546 1.154 . . . . 0.0 110.326 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.796 ' HB1' ' ND1' ' A' ' 44' ' ' HIS . . . -89.46 -56.07 3.4 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 109.279 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.867 ' HB1' HG22 ' A' ' 40' ' ' THR . . . -45.55 -45.84 13.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 109.29 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.801 ' O ' HD12 ' A' ' 56' ' ' LEU . 37.6 t -54.54 -37.89 40.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.546 1.154 . . . . 0.0 109.326 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.447 ' NE2' ' CG ' ' A' ' 57' ' ' ASN . 11.1 tp60 -73.3 -63.44 1.19 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 110.311 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.425 ' HB2' ' NE2' ' A' ' 44' ' ' HIS . 0.9 OUTLIER -50.17 -23.28 2.08 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 109.295 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.8 ' HD3' HD11 ' A' ' 31' ' ' ILE . 36.8 tpt85 -76.21 -48.19 21.27 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.452 1.095 . . . . 0.0 110.282 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.801 HD12 ' O ' ' A' ' 52' ' ' VAL . 0.4 OUTLIER -71.49 -38.67 71.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.105 . . . . 0.0 109.318 179.973 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.524 ' O ' ' CB ' ' A' ' 58' ' ' GLU . 1.2 m-20 -43.26 -61.13 1.42 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.267 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.524 ' CB ' ' O ' ' A' ' 57' ' ' ASN . 0.6 OUTLIER 87.74 -40.73 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 110.343 -179.964 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 1.4 pp0? -66.77 149.39 50.62 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.126 . . . . 0.0 110.271 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 66.31 95.94 0.06 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.124 . . . . 0.0 110.312 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -146.21 134.06 5.2 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.529 1.143 . . . . 0.0 110.986 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 3.8 t -135.75 120.78 18.76 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 0.753 . . . . 0.0 109.986 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -122.04 -84.65 0.74 Allowed Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.472 1.108 . . . . 0.0 110.995 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 148.83 35.85 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.528 1.804 . . . . 0.0 111.028 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 53.1 p -127.43 128.5 45.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 110.003 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -44.73 -58.72 2.9 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.469 1.105 . . . . 0.0 110.008 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.018 0 O-C-N 124.505 1.128 . . . . 0.0 111.01 179.982 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.8 t -149.87 152.43 35.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 0.782 . . . . 0.0 110.007 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 87.5 p -165.5 107.34 0.78 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 110.001 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 132.24 100.4 0.78 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.497 1.123 . . . . 0.0 111.007 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 97.7 p -167.0 137.45 3.07 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 0.77 . . . . 0.0 110.024 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -86.21 -58.84 2.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 109.994 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 75.31 133.62 0.37 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.493 1.12 . . . . 0.0 110.982 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -169.38 154.91 5.92 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.497 0.763 . . . . 0.0 109.291 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 88.06 1.27 Allowed 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.48 1.779 . . . . 0.0 111.045 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -91.35 114.31 26.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 110.344 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -72.24 148.16 45.77 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.127 . . . . 0.0 110.316 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -99.69 101.88 13.19 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.13 . . . . 0.0 110.28 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 5.8 t70 175.0 150.2 0.1 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 109.32 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.489 HD11 ' HE ' ' A' ' 38' ' ' ARG . 60.8 mt -130.14 164.11 25.16 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.526 1.142 . . . . 0.0 109.315 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 65.8 p -108.99 154.42 22.21 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 110.382 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 30.2 mt-30 -39.14 -59.47 1.01 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.546 1.154 . . . . 0.0 110.281 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -43.32 -61.77 1.25 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 110.297 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 75.6 mt-30 -49.45 -59.78 3.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.55 1.156 . . . . 0.0 110.295 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 19.4 m -41.05 -64.93 0.48 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.477 1.111 . . . . 0.0 110.429 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -39.56 -58.42 1.29 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 110.279 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 15.2 mttp -43.39 -59.68 2.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 0.0 109.293 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.468 ' CD2' ' HB3' ' A' ' 37' ' ' CYS . 1.3 mt -41.68 -54.3 3.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 109.3 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.436 HD23 ' N ' ' A' ' 23' ' ' LEU . 5.7 mt -44.55 -63.38 0.91 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 109.265 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -45.03 -67.54 0.28 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.501 1.125 . . . . 0.0 110.301 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.551 ' CZ ' HG21 ' A' ' 29' ' ' THR . 88.5 t80 -46.69 -45.17 19.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 110.967 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 -59.46 -45.73 90.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.456 1.098 . . . . 0.0 110.298 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -63.21 -41.64 99.18 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.556 1.16 . . . . 0.0 109.283 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.3 mt -66.0 -58.18 6.1 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 0.0 109.306 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.551 HG21 ' CZ ' ' A' ' 25' ' ' PHE . 41.3 p -63.41 -73.12 0.12 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 110.442 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 110.67 21.41 6.82 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.48 1.112 . . . . 0.0 111.022 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.908 HD11 ' NE ' ' A' ' 55' ' ' ARG . 35.1 mt -74.8 128.68 36.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.484 0.755 . . . . 0.0 109.301 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -71.95 -39.15 69.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 110.31 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 5.5 m -80.01 107.41 12.77 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.461 1.101 . . . . 0.0 110.009 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.56 -52.8 60.95 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.143 . . . . 0.0 111.025 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -44.22 -52.06 7.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 0.0 109.351 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 8.1 mm100 -48.28 -42.44 30.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 110.309 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.468 ' HB3' ' CD2' ' A' ' 22' ' ' LEU . 1.2 m -66.68 -73.12 0.14 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.484 1.115 . . . . 0.0 108.332 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.489 ' HE ' HD11 ' A' ' 14' ' ' LEU . 5.5 ttm180 -38.63 -33.48 0.11 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.436 1.085 . . . . 0.0 110.313 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -63.51 -54.66 32.87 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.538 1.149 . . . . 0.0 109.597 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.706 HG22 ' HB1' ' A' ' 51' ' ' ALA . 1.0 OUTLIER -61.26 -16.67 47.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 110.412 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.452 ' O ' ' N ' ' A' ' 44' ' ' HIS . 8.8 mt -91.61 -62.34 1.45 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 109.319 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.421 ' HG2' ' NE1' ' A' ' 46' ' ' TRP . 0.4 OUTLIER -45.78 -41.53 10.97 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 110.287 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . 0.485 ' HG3' ' CD2' ' A' ' 44' ' ' HIS . 11.8 pt20 -57.97 -32.86 68.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 110.274 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.793 ' ND1' ' HB1' ' A' ' 50' ' ' ALA . 61.0 m-70 -97.58 -9.53 26.8 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 109.609 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.56 ' CB ' ' O ' ' A' ' 44' ' ' HIS . 16.5 t30 88.15 35.38 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.278 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . 0.421 ' NE1' ' HG2' ' A' ' 42' ' ' GLU . 88.6 m95 66.17 52.11 1.19 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.527 1.142 . . . . 0.0 107.993 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . 0.454 ' O ' ' N ' ' A' ' 50' ' ' ALA . 1.3 m-20 -115.96 81.63 1.63 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 0.0 109.272 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.551 HG23 HG23 ' A' ' 52' ' ' VAL . 43.9 mt -41.71 -46.89 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 0.0 109.335 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -48.94 -42.43 37.33 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 110.299 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.793 ' HB1' ' ND1' ' A' ' 44' ' ' HIS . . . -85.69 -55.01 4.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.47 1.106 . . . . 0.0 109.279 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.706 ' HB1' HG22 ' A' ' 40' ' ' THR . . . -45.78 -48.5 15.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 109.283 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.551 HG23 HG23 ' A' ' 48' ' ' ILE . 41.9 t -56.66 -45.87 82.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.291 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.455 ' O ' ' N ' ' A' ' 57' ' ' ASN . 14.8 mm-40 -63.53 -68.42 0.35 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 110.319 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.429 ' HB2' ' NE2' ' A' ' 44' ' ' HIS . 0.2 OUTLIER -40.84 -36.71 0.67 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 109.276 179.987 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.908 ' NE ' HD11 ' A' ' 31' ' ' ILE . 6.8 tpt85 -65.17 -61.39 2.16 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.547 1.155 . . . . 0.0 110.321 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.413 ' O ' ' C ' ' A' ' 57' ' ' ASN . 0.4 OUTLIER -65.22 -60.81 2.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.115 . . . . 0.0 109.267 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.455 ' N ' ' O ' ' A' ' 53' ' ' GLN . 7.5 m-80 -39.34 -50.74 2.05 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.508 1.13 . . . . 0.0 109.286 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 43.58 67.71 0.61 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.472 1.108 . . . . 0.0 110.312 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 4.7 mm-40 52.91 99.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 110.254 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 -117.41 -56.97 2.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 110.302 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -151.76 103.85 0.25 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.548 1.155 . . . . 0.0 111.006 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 53.1 m -97.66 152.35 19.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 0.751 . . . . 0.0 109.97 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -118.88 158.1 14.99 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.536 1.148 . . . . 0.0 111.032 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 139.92 24.9 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.493 1.786 . . . . 0.0 110.986 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -154.22 92.45 1.52 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.988 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 53.06 87.57 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 110.01 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.968 0 O-C-N 124.444 1.09 . . . . 0.0 110.993 179.967 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.015 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.9 t 58.22 161.42 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 0.776 . . . . 0.0 109.969 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.2 t -155.24 98.41 1.99 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 110.0 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 77.81 140.42 1.45 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.544 1.153 . . . . 0.0 111.013 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.7 p -173.14 114.38 0.25 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.473 0.749 . . . . 0.0 109.946 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 58.27 102.4 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 0.0 109.987 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -92.98 65.75 1.93 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.472 1.108 . . . . 0.0 110.968 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -151.1 155.63 34.96 Favored Pre-proline 0 C--N 1.324 -0.524 0 O-C-N 124.463 0.743 . . . . 0.0 109.336 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 65.14 6.06 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.483 1.78 . . . . 0.0 111.057 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -148.66 179.51 7.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 110.294 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.406 ' O ' ' CG ' ' A' ' 11' ' ' GLU . 2.2 pt-20 -172.2 110.11 0.25 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 110.292 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -111.98 103.2 11.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 110.288 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -88.57 157.22 18.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.461 1.101 . . . . 0.0 109.292 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.455 HD21 ' NH2' ' A' ' 38' ' ' ARG . 8.1 mt -94.12 -178.44 4.63 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.535 1.147 . . . . 0.0 109.32 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 62.6 p -112.95 158.26 20.46 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.567 1.167 . . . . 0.0 110.426 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -44.3 -60.64 1.83 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.532 1.145 . . . . 0.0 110.286 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -40.83 -64.39 0.54 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 110.309 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 61.7 mt-30 -51.25 -59.13 4.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 110.294 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 5.2 m -42.56 -60.94 1.35 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 110.432 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -39.03 -55.39 1.58 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.123 . . . . 0.0 110.282 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 4.9 mttp -47.25 -54.55 10.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 0.0 109.338 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.968 HD22 ' SD ' ' A' ' 34' ' ' MET . 0.6 OUTLIER -46.49 -56.2 6.34 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.477 1.11 . . . . 0.0 109.333 179.965 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.438 HD23 ' N ' ' A' ' 23' ' ' LEU . 5.4 mt -41.78 -60.51 1.35 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 109.296 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.52 ' O ' HD12 ' A' ' 28' ' ' LEU . 0.1 OUTLIER -45.95 -63.23 1.03 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.131 . . . . 0.0 110.29 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.63 ' CZ ' HG21 ' A' ' 29' ' ' THR . 64.0 t80 -44.86 -58.07 3.35 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 110.995 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.4 ' O ' ' C ' ' A' ' 27' ' ' ASP . 37.0 tt0 -44.91 -69.55 0.13 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 110.316 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.4 ' C ' ' O ' ' A' ' 26' ' ' GLN . 6.6 t0 -40.27 -48.31 2.6 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.1 . . . . 0.0 109.287 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.52 HD12 ' O ' ' A' ' 24' ' ' GLN . 3.1 mt -58.67 -80.61 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 109.33 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.63 HG21 ' CZ ' ' A' ' 25' ' ' PHE . 70.2 p -38.83 -56.7 1.33 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.531 1.145 . . . . 0.0 110.375 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 103.52 17.51 17.13 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.491 1.119 . . . . 0.0 111.017 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.577 HD11 ' HD3' ' A' ' 55' ' ' ARG . 15.9 mt -72.57 151.81 7.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.476 0.751 . . . . 0.0 109.323 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -100.42 -33.95 10.15 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.556 1.16 . . . . 0.0 110.324 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -91.44 92.3 8.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 110.006 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . 0.968 ' SD ' HD22 ' A' ' 22' ' ' LEU . 43.4 tpp -56.0 -16.9 5.51 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.455 1.097 . . . . 0.0 110.959 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -66.73 -32.03 73.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 109.326 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -83.75 -27.64 28.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 110.293 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.485 ' HB3' HD21 ' A' ' 22' ' ' LEU . 1.1 m -65.54 -64.49 0.85 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 108.321 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.455 ' NH2' HD21 ' A' ' 14' ' ' LEU . 10.9 ttt180 -42.39 -31.9 0.47 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.538 1.148 . . . . 0.0 110.305 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.44 ' CD2' ' C ' ' A' ' 39' ' ' HIS . 1.2 t60 -66.28 -53.64 34.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.547 1.154 . . . . 0.0 109.584 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.541 HG22 ' HB1' ' A' ' 51' ' ' ALA . 1.7 m -59.49 -25.99 64.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.546 1.154 . . . . 0.0 110.424 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 7.9 mt -84.45 -67.35 0.8 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.475 1.109 . . . . 0.0 109.309 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.421 ' HG2' ' NE1' ' A' ' 46' ' ' TRP . 1.6 mm-40 -39.38 -45.6 1.49 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 110.313 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -52.56 -58.99 5.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.105 . . . . 0.0 110.296 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.706 ' ND1' ' HB1' ' A' ' 50' ' ' ALA . 12.0 m-70 -71.8 -9.57 58.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.093 . . . . 0.0 109.657 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.544 ' CB ' ' O ' ' A' ' 44' ' ' HIS . 19.8 t30 87.04 56.64 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.473 1.108 . . . . 0.0 109.335 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . 0.421 ' NE1' ' HG2' ' A' ' 42' ' ' GLU . 82.3 m95 44.13 60.75 2.63 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.112 . . . . 0.0 108.01 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . 0.455 ' O ' ' N ' ' A' ' 50' ' ' ALA . 3.4 m-20 -125.92 80.72 1.93 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 109.273 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.411 ' O ' HG23 ' A' ' 52' ' ' VAL . 45.9 mt -39.58 -50.96 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.294 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -45.99 -44.94 15.43 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 110.277 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.706 ' HB1' ' ND1' ' A' ' 44' ' ' HIS . . . -83.39 -57.26 3.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.304 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.541 ' HB1' HG22 ' A' ' 40' ' ' THR . . . -42.15 -47.31 4.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 109.254 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.411 HG23 ' O ' ' A' ' 48' ' ' ILE . 15.4 t -52.87 -45.35 50.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.149 . . . . 0.0 109.265 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.439 ' N ' ' O ' ' A' ' 50' ' ' ALA . 24.2 mm100 -63.41 -67.14 0.45 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 0.0 110.329 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.41 ' HB2' ' NE2' ' A' ' 44' ' ' HIS . 8.2 t0 -47.65 -24.98 1.03 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 0.0 109.306 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.577 ' HD3' HD11 ' A' ' 31' ' ' ILE . 38.4 tpt85 -76.33 -56.44 4.64 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.437 1.085 . . . . 0.0 110.318 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.406 ' O ' ' N ' ' A' ' 59' ' ' GLN . 0.3 OUTLIER -67.19 -52.32 42.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.099 . . . . 0.0 109.296 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 6.8 m-80 -46.67 -55.27 8.0 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.557 1.161 . . . . 0.0 109.305 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 19.2 mt-10 -47.75 -24.17 0.89 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 110.292 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.406 ' N ' ' O ' ' A' ' 56' ' ' LEU . 2.1 tm0? -76.66 -64.48 1.11 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 110.262 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -147.06 126.97 13.55 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 110.297 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 171.02 -134.46 3.12 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.507 1.129 . . . . 0.0 111.015 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 27.9 t 178.54 136.57 0.09 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.559 0.799 . . . . 0.0 109.982 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -133.04 157.41 22.65 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.481 1.113 . . . . 0.0 111.018 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 87.14 1.34 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.485 1.782 . . . . 0.0 111.02 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 3.4 t 61.45 178.52 0.11 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.566 1.166 . . . . 0.0 109.956 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -75.26 137.17 41.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 110.035 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.04 0 O-C-N 124.443 1.089 . . . . 0.0 110.97 -179.974 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 178.5 135.41 0.08 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 0.777 . . . . 0.0 110.022 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.7 p 56.85 166.55 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.133 . . . . 0.0 109.984 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -116.69 138.9 14.74 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.551 1.157 . . . . 0.0 110.982 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 49.2 p -147.34 119.97 8.57 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.522 0.777 . . . . 0.0 110.021 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -148.23 79.27 1.45 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.958 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 152.46 129.61 1.48 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.523 1.14 . . . . 0.0 110.998 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.597 ' HB3' ' OE1' ' A' ' 10' ' ' GLU . . . -120.77 161.05 41.96 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.485 0.756 . . . . 0.0 109.336 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 58.78 5.0 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.527 1.803 . . . . 0.0 111.02 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.597 ' OE1' ' HB3' ' A' ' 8' ' ' ALA . 5.7 mt-10 -100.08 132.11 45.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 110.282 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -99.69 76.86 2.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 110.318 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 19.1 ttm105 -92.64 106.15 18.18 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.106 . . . . 0.0 110.288 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 6.6 p30 -51.78 135.91 28.68 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.512 1.132 . . . . 0.0 109.346 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 16.4 mt -86.04 176.57 7.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 109.325 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 65.5 p -109.21 158.6 17.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.461 1.101 . . . . 0.0 110.398 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 31.0 mt-30 -47.91 -55.37 10.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 110.305 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -47.18 -61.63 1.8 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.127 . . . . 0.0 110.286 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.57 ' NE2' ' CE2' ' A' ' 46' ' ' TRP . 0.9 OUTLIER -52.66 -59.72 4.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 110.296 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.7 m -41.39 -63.36 0.71 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 110.429 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -41.51 -57.29 2.27 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.129 . . . . 0.0 110.286 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.471 ' O ' HD11 ' A' ' 48' ' ' ILE . 1.9 mttp -45.01 -49.61 11.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.117 . . . . 0.0 109.304 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.622 HD13 ' SD ' ' A' ' 34' ' ' MET . 1.1 mt -49.81 -57.61 7.02 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 109.304 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.441 HD23 ' N ' ' A' ' 23' ' ' LEU . 5.3 mt -41.82 -58.43 2.02 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 0.0 109.282 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.559 ' C ' HD12 ' A' ' 28' ' ' LEU . 0.8 OUTLIER -45.99 -69.37 0.13 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 110.305 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.713 ' CZ ' HG21 ' A' ' 29' ' ' THR . 87.5 t80 -44.42 -58.2 3.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.113 . . . . 0.0 111.044 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.435 ' O ' ' N ' ' A' ' 30' ' ' GLY . 38.8 tt0 -43.92 -69.17 0.14 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 110.292 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -41.89 -49.1 4.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 109.316 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.559 HD12 ' C ' ' A' ' 24' ' ' GLN . 2.9 mt -58.79 -65.7 0.62 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.512 1.133 . . . . 0.0 109.305 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.713 HG21 ' CZ ' ' A' ' 25' ' ' PHE . 7.9 p -53.07 -72.36 0.06 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.545 1.153 . . . . 0.0 110.394 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.435 ' N ' ' O ' ' A' ' 26' ' ' GLN . . . 120.55 2.74 11.68 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.496 1.122 . . . . 0.0 110.956 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.982 HD11 ' NE ' ' A' ' 55' ' ' ARG . 21.5 mt -62.5 150.76 8.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.443 0.731 . . . . 0.0 109.3 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 15.8 tt0 -97.47 -54.15 3.23 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.564 1.165 . . . . 0.0 110.289 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.0 m -66.53 93.76 0.25 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.523 1.14 . . . . 0.0 109.994 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . 0.622 ' SD ' HD13 ' A' ' 22' ' ' LEU . 1.4 mmt -37.99 -43.46 0.72 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 111.005 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 28.7 m-20 -47.06 -53.99 11.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.547 1.154 . . . . 0.0 109.28 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 15.1 mt-30 -49.89 -36.32 26.91 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.506 1.129 . . . . 0.0 110.295 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.474 ' HB3' ' CD2' ' A' ' 22' ' ' LEU . 1.7 m -72.25 -72.75 0.22 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 108.334 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.417 ' HG3' ' CZ2' ' A' ' 46' ' ' TRP . 7.2 ttt180 -38.68 -29.99 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 110.279 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.445 ' N ' ' O ' ' A' ' 37' ' ' CYS . 6.4 t60 -63.15 -66.93 0.47 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 109.622 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.944 HG22 ' HB1' ' A' ' 51' ' ' ALA . 1.2 m -50.3 -25.55 3.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.571 1.169 . . . . 0.0 110.419 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.444 HD21 HG12 ' A' ' 48' ' ' ILE . 13.6 mt -82.19 -69.07 0.65 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.482 1.114 . . . . 0.0 109.309 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -38.41 -47.67 1.27 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 110.294 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -50.52 -64.35 0.84 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 110.323 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.679 ' CE1' ' HB1' ' A' ' 50' ' ' ALA . 3.5 m-70 -67.55 -9.39 42.23 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.501 1.125 . . . . 0.0 109.557 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.554 ' CB ' ' O ' ' A' ' 44' ' ' HIS . 1.3 m-20 85.82 59.86 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.474 1.109 . . . . 0.0 109.291 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . 0.57 ' CE2' ' NE2' ' A' ' 18' ' ' GLN . 83.9 m95 43.52 62.82 1.75 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 108.012 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . 0.455 ' O ' ' N ' ' A' ' 50' ' ' ALA . 1.5 m-20 -127.63 78.55 1.83 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 109.297 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.551 HG23 HG23 ' A' ' 52' ' ' VAL . 39.9 mt -41.66 -47.95 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.436 1.085 . . . . 0.0 109.307 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -48.49 -41.31 29.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 110.261 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.679 ' HB1' ' CE1' ' A' ' 44' ' ' HIS . . . -86.67 -54.86 4.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 109.326 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.944 ' HB1' HG22 ' A' ' 40' ' ' THR . . . -46.37 -49.75 17.4 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.554 1.159 . . . . 0.0 109.288 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.824 ' O ' HD12 ' A' ' 56' ' ' LEU . 39.4 t -53.06 -32.87 19.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.522 1.139 . . . . 0.0 109.243 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.455 ' N ' ' O ' ' A' ' 50' ' ' ALA . 0.8 OUTLIER -83.48 -67.25 0.81 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 110.286 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.459 ' HB2' ' CD2' ' A' ' 44' ' ' HIS . 23.8 t0 -40.11 -29.74 0.08 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.441 1.088 . . . . 0.0 109.252 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.982 ' NE ' HD11 ' A' ' 31' ' ' ILE . 1.2 tpt85 -71.99 -56.02 6.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 110.265 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.824 HD12 ' O ' ' A' ' 52' ' ' VAL . 0.5 OUTLIER -67.86 -45.12 75.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 0.0 109.255 -179.934 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 15.1 m-20 -63.51 -37.57 87.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.113 . . . . 0.0 109.318 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -125.22 79.83 1.83 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 110.338 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 14.5 pt20 -96.51 134.38 39.78 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.453 1.096 . . . . 0.0 110.31 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -83.7 88.07 7.06 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.512 1.132 . . . . 0.0 110.285 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -116.85 -99.85 2.12 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.491 1.119 . . . . 0.0 111.015 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.5 m -160.04 152.13 20.52 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 0.777 . . . . 0.0 110.018 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 134.09 78.93 0.12 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.495 1.122 . . . . 0.0 110.988 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 155.31 42.86 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.522 1.801 . . . . 0.0 111.032 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 30.1 t -82.99 160.24 22.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 110.014 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 7.8 t 62.23 85.83 0.12 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 109.996 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.976 0 O-C-N 124.493 1.121 . . . . 0.0 110.972 179.999 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.047 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.2 m -148.14 85.61 1.54 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.542 0.789 . . . . 0.0 110.0 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 38.3 m -97.71 -58.68 1.94 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.997 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -66.06 -132.86 0.02 OUTLIER Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.471 1.107 . . . . 0.0 110.983 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -118.18 -58.11 2.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 0.754 . . . . 0.0 110.006 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -175.17 141.89 0.59 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 110.002 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 69.61 177.41 18.1 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.508 1.13 . . . . 0.0 110.968 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -109.89 161.1 25.62 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.529 0.782 . . . . 0.0 109.299 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -90.21 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.514 1.797 . . . . 0.0 111.019 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -172.39 144.06 1.49 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 110.307 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -64.86 102.24 0.57 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 0.0 110.345 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 6.2 mtt85 -114.81 149.64 36.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.112 . . . . 0.0 110.341 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -98.81 152.99 19.11 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 109.303 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.493 HD21 HH21 ' A' ' 38' ' ' ARG . 23.5 mt -110.1 176.91 4.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 109.256 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.404 ' O ' ' C ' ' A' ' 16' ' ' GLN . 72.4 p -114.91 151.99 33.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 110.392 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.404 ' C ' ' O ' ' A' ' 15' ' ' THR . 0.0 OUTLIER -38.78 -59.71 0.92 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 0.0 110.298 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -43.12 -60.64 1.58 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.139 . . . . 0.0 110.304 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 45.8 mt-30 -55.45 -62.72 1.49 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.443 1.09 . . . . 0.0 110.318 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 24.4 m -41.76 -59.06 1.78 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 110.377 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -43.1 -62.14 1.12 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 0.0 110.338 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.494 ' O ' HD11 ' A' ' 48' ' ' ILE . 2.7 mttp -40.86 -47.98 3.02 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.448 1.092 . . . . 0.0 109.293 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.564 HD13 ' SD ' ' A' ' 34' ' ' MET . 0.4 OUTLIER -50.57 -59.03 4.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.315 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.457 HD23 ' N ' ' A' ' 23' ' ' LEU . 4.6 mt -41.87 -56.17 2.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 109.308 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.579 ' OE1' HD11 ' A' ' 28' ' ' LEU . 0.1 OUTLIER -46.51 -69.1 0.14 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 110.324 179.956 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.851 ' CZ ' HG21 ' A' ' 29' ' ' THR . 74.2 t80 -41.56 -60.73 1.23 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.472 1.107 . . . . 0.0 111.041 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.431 ' O ' ' N ' ' A' ' 30' ' ' GLY . 38.0 tt0 -40.67 -68.91 0.15 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.534 1.147 . . . . 0.0 110.326 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 11.1 t0 -43.02 -50.18 5.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 109.314 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.579 HD11 ' OE1' ' A' ' 24' ' ' GLN . 3.0 mt -58.01 -73.77 0.07 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.509 1.131 . . . . 0.0 109.298 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.851 HG21 ' CZ ' ' A' ' 25' ' ' PHE . 12.0 p -44.36 -64.24 0.72 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.517 1.136 . . . . 0.0 110.436 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.431 ' N ' ' O ' ' A' ' 26' ' ' GLN . . . 110.96 17.23 9.13 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.495 1.122 . . . . 0.0 111.056 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.919 HD11 ' NE ' ' A' ' 55' ' ' ARG . 32.5 mt -77.37 147.34 7.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.5 0.765 . . . . 0.0 109.328 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -87.49 -58.34 2.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 110.296 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 9.0 m -67.17 122.34 17.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 110.03 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . 0.564 ' SD ' HD13 ' A' ' 22' ' ' LEU . 2.8 mmt -62.53 -47.24 84.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.546 1.154 . . . . 0.0 110.957 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 11.2 t0 -44.15 -52.25 7.45 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.552 1.158 . . . . 0.0 109.324 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 4.6 mm100 -52.78 -35.72 56.99 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.535 1.147 . . . . 0.0 110.351 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.47 ' HB3' ' CD2' ' A' ' 22' ' ' LEU . 1.7 m -72.51 -73.13 0.21 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.154 . . . . 0.0 108.3 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.493 HH21 HD21 ' A' ' 14' ' ' LEU . 0.4 OUTLIER -37.52 -31.91 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.565 1.166 . . . . 0.0 110.262 -179.978 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.447 ' N ' ' O ' ' A' ' 37' ' ' CYS . 13.2 t-160 -61.27 -64.21 1.03 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 0.0 109.597 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.8 HG22 ' HB1' ' A' ' 51' ' ' ALA . 1.3 m -51.99 -30.32 24.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 110.376 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.401 ' O ' ' C ' ' A' ' 42' ' ' GLU . 11.9 mt -77.36 -69.12 0.55 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 0.0 109.315 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.401 ' C ' ' O ' ' A' ' 41' ' ' LEU . 2.1 mm-40 -38.17 -45.92 1.0 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 0.0 110.333 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -49.79 -65.29 0.59 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 110.289 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.613 ' ND1' ' HB1' ' A' ' 50' ' ' ALA . 12.5 m-70 -67.56 -9.65 44.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.104 . . . . 0.0 109.592 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.573 ' CB ' ' O ' ' A' ' 44' ' ' HIS . 21.9 t30 87.37 57.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.146 . . . . 0.0 109.317 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 82.4 m95 46.06 61.71 2.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 107.997 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . 0.456 ' O ' ' N ' ' A' ' 50' ' ' ALA . 2.9 m-20 -127.38 79.2 1.87 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.478 1.111 . . . . 0.0 109.253 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.523 ' O ' HG23 ' A' ' 52' ' ' VAL . 29.3 mt -40.39 -48.39 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.543 1.152 . . . . 0.0 109.305 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -48.12 -43.98 31.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 110.309 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.613 ' HB1' ' ND1' ' A' ' 44' ' ' HIS . . . -84.26 -54.81 4.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.293 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.8 ' HB1' HG22 ' A' ' 40' ' ' THR . . . -45.17 -49.26 12.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.53 1.143 . . . . 0.0 109.316 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.719 ' O ' HD12 ' A' ' 56' ' ' LEU . 37.7 t -51.75 -36.47 18.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 109.277 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.445 ' N ' ' O ' ' A' ' 50' ' ' ALA . 12.4 tp60 -77.86 -65.64 0.94 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.144 . . . . 0.0 110.318 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.544 ' HB2' ' CD2' ' A' ' 44' ' ' HIS . 5.9 t70 -39.99 -30.22 0.09 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.535 1.147 . . . . 0.0 109.289 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.919 ' NE ' HD11 ' A' ' 31' ' ' ILE . 4.7 tpt85 -72.54 -56.5 5.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.133 . . . . 0.0 110.265 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.719 HD12 ' O ' ' A' ' 52' ' ' VAL . 0.5 OUTLIER -69.51 -12.77 61.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 109.346 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.433 ' N ' ' O ' ' A' ' 53' ' ' GLN . 1.0 OUTLIER -63.93 -50.43 68.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 109.283 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.401 ' C ' ' O ' ' A' ' 57' ' ' ASN . 0.4 OUTLIER 39.0 70.95 0.18 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.443 1.089 . . . . 0.0 110.283 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 6.9 mp0 55.09 -178.52 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.11 . . . . 0.0 110.286 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -87.4 117.98 26.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 110.304 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -50.16 164.09 0.7 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.502 1.126 . . . . 0.0 111.006 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 5.7 t -78.97 141.42 37.53 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 0.75 . . . . 0.0 110.009 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -62.28 176.67 6.17 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.55 1.156 . . . . 0.0 110.968 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 102.23 1.56 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.514 1.797 . . . . 0.0 110.971 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 73.1 m -158.44 88.97 0.95 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.135 . . . . 0.0 110.0 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 6.1 t 63.13 138.44 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.104 . . . . 0.0 109.973 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 O-C-N 124.455 1.097 . . . . 0.0 110.99 179.981 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.965 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -101.34 131.72 47.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.461 0.742 . . . . 0.0 109.95 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -89.93 -58.5 2.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 110.009 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 164.92 140.57 2.9 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.558 1.161 . . . . 0.0 110.946 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 28.3 t 61.56 105.41 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.463 0.743 . . . . 0.0 109.996 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -132.67 106.46 7.8 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.132 . . . . 0.0 110.019 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 127.07 -93.14 0.39 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.45 1.094 . . . . 0.0 110.979 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.47 ' HB1' ' HD2' ' A' ' 9' ' ' PRO . . . 58.67 163.59 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.497 0.763 . . . . 0.0 109.296 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.47 ' HD2' ' HB1' ' A' ' 8' ' ' ALA . 18.3 Cg_endo -74.97 59.32 5.14 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.466 1.772 . . . . 0.0 110.971 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 56.31 170.66 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.472 1.107 . . . . 0.0 110.291 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 62.4 mt-10 -61.71 140.82 58.15 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 110.316 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.55 164.24 15.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 110.29 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 61.6 160.44 0.06 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 109.291 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 8.8 mt -74.72 172.78 11.51 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.442 1.089 . . . . 0.0 109.287 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 19.7 p -97.5 149.08 22.57 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.499 1.124 . . . . 0.0 110.383 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -39.45 -59.14 1.13 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 0.0 110.308 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 31.4 mt-10 -46.55 -67.59 0.27 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 110.309 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 58.0 mt-30 -39.76 -62.79 0.66 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.517 1.136 . . . . 0.0 110.281 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 8.5 m -41.37 -56.7 2.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.127 . . . . 0.0 110.418 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -46.06 -57.87 4.09 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.553 1.158 . . . . 0.0 110.304 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.5 ' O ' HD11 ' A' ' 48' ' ' ILE . 1.4 mttt -44.43 -47.83 9.9 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.458 1.098 . . . . 0.0 109.267 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.503 HD11 ' HB2' ' A' ' 38' ' ' ARG . 0.2 OUTLIER -50.89 -57.28 8.88 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 109.26 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.457 HD23 ' N ' ' A' ' 23' ' ' LEU . 4.6 mt -43.62 -54.83 4.7 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.532 1.145 . . . . 0.0 109.311 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.585 ' C ' HD12 ' A' ' 28' ' ' LEU . 2.0 mt-30 -49.62 -67.86 0.23 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.448 1.093 . . . . 0.0 110.308 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.594 ' O ' HG23 ' A' ' 29' ' ' THR . 34.7 t80 -41.46 -60.56 1.26 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 110.996 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.443 ' O ' ' N ' ' A' ' 30' ' ' GLY . 25.0 tt0 -47.8 -72.56 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.149 . . . . 0.0 110.297 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.407 ' C ' ' O ' ' A' ' 26' ' ' GLN . 0.4 OUTLIER -40.09 -47.25 2.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.247 -179.922 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.585 HD12 ' C ' ' A' ' 24' ' ' GLN . 5.2 mt -60.67 -74.15 0.08 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.297 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.594 HG23 ' O ' ' A' ' 25' ' ' PHE . 69.8 p -48.1 -68.42 0.19 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 110.388 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 26' ' ' GLN . . . 116.85 13.53 7.82 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.533 1.146 . . . . 0.0 111.028 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.749 HD13 HH21 ' A' ' 55' ' ' ARG . 10.3 mt -71.95 96.95 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.536 0.786 . . . . 0.0 109.281 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.403 ' C ' ' O ' ' A' ' 31' ' ' ILE . 1.6 mt-10 -38.62 -62.68 0.58 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 110.338 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.8 m -54.99 131.77 45.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 109.945 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . 0.404 ' O ' ' N ' ' A' ' 37' ' ' CYS . 1.7 tpt -75.94 -56.05 5.03 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.5 1.125 . . . . 0.0 110.965 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -48.11 -40.88 24.85 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 109.271 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 16.6 mm100 -57.79 -33.99 69.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.457 1.098 . . . . 0.0 110.313 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.488 ' HB3' HD21 ' A' ' 22' ' ' LEU . 0.8 OUTLIER -73.98 -73.84 0.21 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.113 . . . . 0.0 108.319 179.95 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.503 ' HB2' HD11 ' A' ' 22' ' ' LEU . 2.6 ttp180 -38.66 -38.75 0.43 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.542 1.151 . . . . 0.0 110.35 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 2.5 t60 -46.32 -60.6 2.23 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.444 1.09 . . . . 0.0 109.635 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.656 HG21 ' HD3' ' A' ' 55' ' ' ARG . 1.8 m -56.61 -61.03 2.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 110.42 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.594 HD11 ' CB ' ' A' ' 25' ' ' PHE . 8.2 mt -42.18 -64.91 0.52 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 109.317 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.401 ' C ' ' O ' ' A' ' 41' ' ' LEU . 0.0 OUTLIER -38.09 -52.9 1.42 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 110.308 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -55.9 -57.42 12.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.567 1.167 . . . . 0.0 110.286 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.579 ' ND1' ' HB1' ' A' ' 50' ' ' ALA . 12.5 m-70 -62.76 -13.25 30.69 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.123 . . . . 0.0 109.593 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.56 ' CB ' ' O ' ' A' ' 44' ' ' HIS . 27.0 t30 86.8 42.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 0.0 109.312 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 91.6 m95 57.28 55.34 5.94 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.111 . . . . 0.0 108.004 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . 0.437 ' O ' ' N ' ' A' ' 50' ' ' ALA . 1.0 OUTLIER -121.29 76.73 1.26 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 109.291 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.561 HG12 HD21 ' A' ' 41' ' ' LEU . 19.7 mt -39.34 -51.93 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 109.315 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -46.5 -46.33 19.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 110.3 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.579 ' HB1' ' ND1' ' A' ' 44' ' ' HIS . . . -79.49 -59.61 2.69 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.482 1.113 . . . . 0.0 109.288 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.493 ' HB1' HG22 ' A' ' 40' ' ' THR . . . -41.41 -51.38 3.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 109.31 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.79 ' O ' HD12 ' A' ' 56' ' ' LEU . 6.8 t -48.72 -55.34 3.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.293 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.491 ' O ' ' CB ' ' A' ' 57' ' ' ASN . 0.9 OUTLIER -60.74 -24.16 65.5 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.462 1.101 . . . . 0.0 110.268 -179.981 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.509 ' OD2' ' CD2' ' A' ' 44' ' ' HIS . 9.5 t0 -66.2 -25.13 66.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.318 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.749 HH21 HD13 ' A' ' 31' ' ' ILE . 1.9 mmm180 -93.6 -51.61 4.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 110.351 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.79 HD12 ' O ' ' A' ' 52' ' ' VAL . 1.8 mp -70.76 -15.5 62.68 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 0.0 109.294 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.491 ' CB ' ' O ' ' A' ' 53' ' ' GLN . 1.7 m-20 -45.69 -58.21 3.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.296 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER 43.76 63.4 1.59 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.143 . . . . 0.0 110.302 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.425 ' O ' ' N ' ' A' ' 61' ' ' GLY . 77.9 mt-30 54.6 78.31 0.17 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.528 1.142 . . . . 0.0 110.265 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 68.3 -68.01 0.18 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 110.332 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.425 ' N ' ' O ' ' A' ' 59' ' ' GLN . . . 106.58 -144.76 15.88 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.48 1.112 . . . . 0.0 110.973 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 6.4 t -87.51 138.63 31.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 0.785 . . . . 0.0 109.983 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 99.61 86.84 1.91 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.518 1.136 . . . . 0.0 110.965 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -40.23 0.95 Allowed 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.485 1.782 . . . . 0.0 110.995 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 28.4 t -131.32 118.29 20.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.143 . . . . 0.0 110.019 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 30.8 m 59.4 80.43 0.2 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.487 1.117 . . . . 0.0 110.003 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.956 0 O-C-N 124.51 1.131 . . . . 0.0 111.004 179.977 . . . . . . . . 0 0 . 1 stop_ save_