data_2cqw_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 2cqw _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 ' 20' ' ' SER . . . . . . . . . . . . . 6.4 p . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 110.012 -0.366 . . . . 0.0 110.012 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.809 ' SG ' ' SG ' ' A' ' 45' ' ' CYS . 69.5 m -125.56 53.05 1.58 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.431 1.082 . . . . 0.0 108.311 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 17.0 p -83.63 -47.38 11.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 110.003 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -120.95 29.75 7.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 109.327 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.464 ' HD2' ' CB ' ' A' ' 27' ' ' ALA . 1.0 OUTLIER -114.71 -93.37 0.49 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.455 1.097 . . . . 0.0 110.277 -179.962 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 35.2 m 59.5 40.11 20.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 108.308 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 166.75 55.38 0.03 OUTLIER Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.489 1.118 . . . . 0.0 110.991 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.464 ' CB ' ' HD2' ' A' ' 24' ' ' ARG . . . -154.4 164.06 39.21 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.515 0.774 . . . . 0.0 109.335 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.4 HE21 ' CG ' ' A' ' 35' ' ' HIS . 83.8 mt-30 -126.28 127.01 44.93 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.481 1.113 . . . . 0.0 110.345 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 17.9 t0 -128.09 177.82 6.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.142 . . . . 0.0 109.308 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -82.93 -51.45 4.22 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.577 1.173 . . . . 0.0 110.962 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 20.5 mt -62.46 -45.79 91.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 0.768 . . . . 0.0 109.306 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . 0.428 ' SG ' ' N ' ' A' ' 33' ' ' SER . 0.8 OUTLIER -146.02 -164.29 1.93 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.545 1.153 . . . . 0.0 108.331 180.0 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.439 ' N ' ' O ' ' A' ' 43' ' ' THR . 15.2 t -159.7 137.55 10.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.437 1.086 . . . . 0.0 110.014 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.466 ' HA ' ' CD1' ' A' ' 48' ' ' PHE . 19.5 m -102.33 22.85 12.66 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 108.254 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.519 ' CG ' ' HD2' ' A' ' 36' ' ' PRO . 0.1 OUTLIER -101.18 153.41 37.8 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 109.634 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.519 ' HD2' ' CG ' ' A' ' 35' ' ' HIS . 18.3 Cg_endo -74.94 -7.13 18.93 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.505 1.792 . . . . 0.0 111.029 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 72.5 p -87.55 -11.43 48.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 110.436 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . 0.444 ' O ' ' N ' ' A' ' 42' ' ' GLY . 15.5 p -57.48 -19.49 24.75 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.113 . . . . 0.0 108.31 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -69.67 -39.9 76.75 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.491 1.12 . . . . 0.0 110.025 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -75.94 -33.24 51.12 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.484 1.115 . . . . 0.0 111.048 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.2 mt -84.89 -65.79 0.97 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 0.756 . . . . 0.0 109.312 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 38' ' ' CYS . . . 116.8 40.8 0.75 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.527 1.142 . . . . 0.0 111.02 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.439 ' O ' ' N ' ' A' ' 33' ' ' SER . 81.8 p -122.7 26.37 8.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 0.766 . . . . 0.0 110.398 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 21.9 m -64.99 144.21 57.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.15 . . . . 0.0 108.269 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . 0.809 ' SG ' ' SG ' ' A' ' 21' ' ' CYS . 0.8 OUTLIER -79.74 161.5 25.71 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.48 1.112 . . . . 0.0 108.273 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.97 -27.29 63.62 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.544 1.152 . . . . 0.0 110.289 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -113.11 14.98 19.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 109.285 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.466 ' CD1' ' HA ' ' A' ' 34' ' ' CYS . 17.0 t80 -68.99 -48.12 63.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.125 . . . . 0.0 111.046 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.498 ' O ' ' CB ' ' A' ' 53' ' ' LEU . 7.8 mt -73.51 -36.06 65.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 109.331 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -58.77 -40.16 83.14 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.516 1.135 . . . . 0.0 109.315 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -95.11 -19.57 20.01 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 110.955 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . 0.449 ' N ' ' O ' ' A' ' 48' ' ' PHE . 1.5 m -130.75 63.63 1.58 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 108.309 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.498 ' CB ' ' O ' ' A' ' 49' ' ' LEU . 0.2 OUTLIER -99.85 14.85 28.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.555 1.159 . . . . 0.0 109.287 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -162.05 42.74 0.14 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.504 1.127 . . . . 0.0 110.306 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 6.7 pt . . . . . 0 C--N 1.326 -0.439 0 O-C-N 124.498 1.124 . . . . 0.0 109.279 179.998 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 39.5 m . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.983 -0.377 . . . . 0.0 109.983 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.798 ' SG ' ' SG ' ' A' ' 45' ' ' CYS . 46.0 m -124.47 57.09 1.26 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.548 1.155 . . . . 0.0 108.294 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 13.4 m -85.72 -47.52 9.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 109.986 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -120.58 25.84 9.51 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.506 1.129 . . . . 0.0 109.291 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.454 ' HD2' ' CB ' ' A' ' 27' ' ' ALA . 1.5 mtt180 -108.9 -92.19 0.43 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.446 1.091 . . . . 0.0 110.341 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 65.6 m 59.61 40.11 20.54 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.113 . . . . 0.0 108.32 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 168.61 55.19 0.03 OUTLIER Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.547 1.155 . . . . 0.0 110.973 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.454 ' CB ' ' HD2' ' A' ' 24' ' ' ARG . . . -156.36 164.4 38.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 0.768 . . . . 0.0 109.265 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -126.29 127.01 44.92 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.112 . . . . 0.0 110.317 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -128.17 174.99 8.78 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 109.321 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -79.8 -56.55 3.29 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.466 1.104 . . . . 0.0 110.986 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -57.68 -43.46 85.09 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.488 0.758 . . . . 0.0 109.307 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . 0.415 ' SG ' ' N ' ' A' ' 33' ' ' SER . 0.8 OUTLIER -149.05 -165.3 2.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.113 . . . . 0.0 108.295 -179.96 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.436 ' N ' ' O ' ' A' ' 43' ' ' THR . 22.2 t -158.32 138.22 12.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.14 . . . . 0.0 110.01 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.438 ' N ' ' O ' ' A' ' 27' ' ' ALA . 12.1 m -101.55 23.51 11.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.097 . . . . 0.0 108.315 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.519 ' CG ' ' HD2' ' A' ' 36' ' ' PRO . 0.1 OUTLIER -100.83 152.09 37.76 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.112 . . . . 0.0 109.546 -179.952 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.519 ' HD2' ' CG ' ' A' ' 35' ' ' HIS . 18.2 Cg_endo -75.07 -5.65 17.03 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.469 1.773 . . . . 0.0 110.995 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 41.9 p -92.7 -6.9 48.21 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.13 . . . . 0.0 110.386 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . 0.439 ' O ' ' N ' ' A' ' 42' ' ' GLY . 18.5 p -62.29 -17.6 59.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 108.277 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 59.6 p -70.64 -40.82 72.84 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 109.982 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -76.07 -33.87 48.67 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.494 1.121 . . . . 0.0 110.958 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.1 mt -81.95 -57.93 3.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 0.76 . . . . 0.0 109.33 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.439 ' N ' ' O ' ' A' ' 38' ' ' CYS . . . 109.89 34.92 2.28 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.529 1.143 . . . . 0.0 111.02 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.436 ' O ' ' N ' ' A' ' 33' ' ' SER . 62.5 p -116.63 24.17 11.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 0.745 . . . . 0.0 110.402 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 52.2 m -65.99 147.17 53.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 108.3 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . 0.798 ' SG ' ' SG ' ' A' ' 21' ' ' CYS . 0.1 OUTLIER -84.46 163.71 19.28 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.468 1.105 . . . . 0.0 108.268 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -75.06 -25.41 58.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 110.299 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -113.01 17.35 18.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 109.327 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.455 ' O ' ' N ' ' A' ' 52' ' ' CYS . 20.2 t80 -69.04 -48.16 63.59 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.469 1.106 . . . . 0.0 110.998 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.453 ' O ' ' CG ' ' A' ' 53' ' ' LEU . 5.3 mt -73.61 -30.97 63.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.552 1.157 . . . . 0.0 109.295 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -58.69 -38.55 78.48 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.538 1.149 . . . . 0.0 109.284 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.488 ' CB ' ' O ' ' A' ' 21' ' ' CYS . 26.8 m-85 -100.89 -22.64 14.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 110.985 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . 0.455 ' N ' ' O ' ' A' ' 48' ' ' PHE . 1.8 m -122.57 65.36 0.95 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 108.285 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.453 ' CG ' ' O ' ' A' ' 49' ' ' LEU . 0.3 OUTLIER -104.18 30.53 5.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 0.0 109.323 179.971 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -175.15 37.04 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.464 1.102 . . . . 0.0 110.302 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 6.5 pt . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 109.284 179.989 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 34.5 m . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 110.029 -0.36 . . . . 0.0 110.029 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.79 ' SG ' ' SG ' ' A' ' 45' ' ' CYS . 64.5 m -124.01 57.12 1.22 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 108.342 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 41.5 p -65.31 -63.75 1.03 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 110.011 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.6 pp -110.89 -21.54 11.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 109.306 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.473 ' HD2' ' CB ' ' A' ' 27' ' ' ALA . 0.3 OUTLIER -44.53 -94.12 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 110.324 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 41.0 m 59.34 37.94 23.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 108.295 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . 0.439 ' N ' ' O ' ' A' ' 34' ' ' CYS . . . 168.03 56.18 0.03 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.552 1.157 . . . . 0.0 111.004 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.473 ' CB ' ' HD2' ' A' ' 24' ' ' ARG . . . -154.09 169.02 24.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 0.751 . . . . 0.0 109.268 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 18.5 mt-30 -126.15 127.23 45.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.153 . . . . 0.0 110.305 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -128.11 173.1 10.37 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 109.3 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -82.04 -52.52 4.03 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.439 1.087 . . . . 0.0 110.996 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 5.1 mt -63.8 -39.15 93.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.555 0.797 . . . . 0.0 109.291 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . 0.425 ' SG ' ' N ' ' A' ' 33' ' ' SER . 0.8 OUTLIER -150.31 -164.62 2.06 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.464 1.103 . . . . 0.0 108.324 179.973 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.442 ' N ' ' O ' ' A' ' 43' ' ' THR . 11.0 t -160.42 137.23 9.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 110.045 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.439 ' O ' ' N ' ' A' ' 26' ' ' GLY . 13.3 m -102.14 31.27 4.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 108.322 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.522 ' CG ' ' HD2' ' A' ' 36' ' ' PRO . 0.2 OUTLIER -112.24 151.99 44.11 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 109.58 -179.964 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.522 ' HD2' ' CG ' ' A' ' 35' ' ' HIS . 18.3 Cg_endo -74.99 -2.5 12.62 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.514 1.797 . . . . 0.0 111.012 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 78.8 p -90.52 -7.86 51.84 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.551 1.157 . . . . 0.0 110.356 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . 0.451 ' O ' ' N ' ' A' ' 42' ' ' GLY . 20.1 p -64.14 -18.32 64.33 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.528 1.143 . . . . 0.0 108.265 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.3 -43.17 78.23 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.118 . . . . 0.0 109.99 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -76.08 -33.97 48.38 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.541 1.151 . . . . 0.0 110.963 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.2 mt -82.81 -68.08 0.73 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.458 0.74 . . . . 0.0 109.279 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.451 ' N ' ' O ' ' A' ' 38' ' ' CYS . . . 118.98 41.77 0.58 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.536 1.148 . . . . 0.0 110.984 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.442 ' O ' ' N ' ' A' ' 33' ' ' SER . 82.8 p -121.98 23.29 10.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.448 0.734 . . . . 0.0 110.387 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 27.4 m -63.28 144.68 56.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.106 . . . . 0.0 108.312 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . 0.79 ' SG ' ' SG ' ' A' ' 21' ' ' CYS . 0.8 OUTLIER -82.94 160.59 22.04 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.556 1.16 . . . . 0.0 108.291 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -71.17 -26.51 63.01 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.534 1.146 . . . . 0.0 110.297 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -113.1 15.29 19.55 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 109.305 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.458 ' O ' ' N ' ' A' ' 52' ' ' CYS . 16.4 t80 -69.0 -48.02 64.09 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 110.998 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.493 ' O ' ' CB ' ' A' ' 53' ' ' LEU . 9.0 mt -73.51 -35.85 65.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 109.265 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -58.81 -40.73 84.97 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.469 1.106 . . . . 0.0 109.308 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -93.85 -22.3 18.73 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.496 1.122 . . . . 0.0 111.026 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . 0.462 ' HB3' ' CG2' ' A' ' 55' ' ' ILE . 1.7 m -128.67 64.21 1.44 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 108.32 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.493 ' CB ' ' O ' ' A' ' 49' ' ' LEU . 0.3 OUTLIER -97.85 13.93 28.86 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.544 1.153 . . . . 0.0 109.241 -179.943 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -157.91 40.67 0.28 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.541 1.151 . . . . 0.0 110.249 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.462 ' CG2' ' HB3' ' A' ' 52' ' ' CYS . 6.4 pt . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.151 . . . . 0.0 109.305 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 5.8 p . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.997 -0.372 . . . . 0.0 109.997 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.714 ' SG ' ' SG ' ' A' ' 45' ' ' CYS . 66.1 m -127.02 48.85 2.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 0.0 108.314 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -75.79 -53.85 7.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.14 . . . . 0.0 109.992 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.411 ' CD2' ' C ' ' A' ' 23' ' ' LEU . 0.0 OUTLIER -117.93 36.28 4.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.554 1.159 . . . . 0.0 109.322 179.975 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.469 ' HD2' ' CB ' ' A' ' 27' ' ' ALA . 0.3 OUTLIER -120.45 -93.68 0.51 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.14 . . . . 0.0 110.274 -179.951 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 51.7 m 59.87 40.04 19.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 108.328 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 166.87 55.44 0.03 OUTLIER Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.487 1.117 . . . . 0.0 111.002 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.469 ' CB ' ' HD2' ' A' ' 24' ' ' ARG . . . -153.63 165.83 34.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 0.758 . . . . 0.0 109.31 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 75.9 mt-30 -126.22 127.02 45.0 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.455 1.097 . . . . 0.0 110.304 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.491 ' CB ' ' O ' ' A' ' 32' ' ' CYS . 0.1 OUTLIER -128.39 177.61 6.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 0.0 109.272 -179.968 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -83.22 -52.28 3.85 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.486 1.116 . . . . 0.0 111.021 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 21.2 mt -63.99 -44.69 91.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 0.775 . . . . 0.0 109.338 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . 0.491 ' O ' ' CB ' ' A' ' 29' ' ' ASP . 0.8 OUTLIER -149.38 -179.77 7.32 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 108.285 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.428 ' N ' ' O ' ' A' ' 43' ' ' THR . 23.0 t -144.66 140.76 28.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.432 1.082 . . . . 0.0 110.005 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.409 ' N ' ' O ' ' A' ' 27' ' ' ALA . 22.2 m -104.33 21.62 16.3 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.559 1.162 . . . . 0.0 108.288 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.523 ' CG ' ' HD2' ' A' ' 36' ' ' PRO . 0.2 OUTLIER -98.66 151.5 37.47 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 0.0 109.577 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.523 ' HD2' ' CG ' ' A' ' 35' ' ' HIS . 18.4 Cg_endo -74.95 -2.22 12.24 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.459 1.768 . . . . 0.0 111.04 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 31.7 p -94.48 -8.5 38.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 110.447 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . 0.44 ' O ' ' N ' ' A' ' 42' ' ' GLY . 19.6 p -61.85 -21.52 64.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.115 . . . . 0.0 108.296 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 20.7 t -66.71 -42.06 86.99 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.518 1.136 . . . . 0.0 109.957 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -75.74 -30.32 58.07 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.49 1.119 . . . . 0.0 111.0 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.1 mt -84.35 -68.5 0.71 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 0.757 . . . . 0.0 109.303 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 38' ' ' CYS . . . 120.4 40.03 0.6 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.548 1.155 . . . . 0.0 110.948 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.428 ' O ' ' N ' ' A' ' 33' ' ' SER . 30.8 p -124.74 24.1 7.81 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 0.767 . . . . 0.0 110.399 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 32.2 m -65.44 145.61 55.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 108.271 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . 0.714 ' SG ' ' SG ' ' A' ' 21' ' ' CYS . 0.8 OUTLIER -79.54 160.37 26.51 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.556 1.16 . . . . 0.0 108.327 179.947 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -70.7 -26.28 63.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.148 . . . . 0.0 110.298 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 28.1 p30 -113.39 18.85 17.45 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.454 1.096 . . . . 0.0 109.315 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.455 ' O ' ' N ' ' A' ' 52' ' ' CYS . 13.0 t80 -69.33 -48.21 62.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 111.003 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.454 ' O ' ' CB ' ' A' ' 53' ' ' LEU . 5.9 mt -73.66 -35.07 65.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 109.287 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -58.58 -38.96 79.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 109.307 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -97.02 -20.75 17.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.457 1.098 . . . . 0.0 110.982 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . 0.455 ' N ' ' O ' ' A' ' 48' ' ' PHE . 1.9 m -127.58 64.13 1.35 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 108.298 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.454 ' CB ' ' O ' ' A' ' 49' ' ' LEU . 0.3 OUTLIER -101.81 31.09 4.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 109.268 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -176.2 37.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 110.294 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 6.8 pt . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.454 1.096 . . . . 0.0 109.309 179.996 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 9.2 p . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 110.034 -0.358 . . . . 0.0 110.034 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.776 ' SG ' ' SG ' ' A' ' 45' ' ' CYS . 62.9 m -126.7 50.39 1.95 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.108 . . . . 0.0 108.302 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 4.1 m -80.71 -50.67 9.6 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.994 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -114.71 34.07 5.0 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.536 1.147 . . . . 0.0 109.315 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.467 ' HD2' ' CB ' ' A' ' 27' ' ' ALA . 0.6 OUTLIER -121.79 -93.43 0.52 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 110.332 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 59.9 m 59.37 40.26 21.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 108.286 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 167.32 54.86 0.03 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.54 1.15 . . . . 0.0 110.965 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.467 ' CB ' ' HD2' ' A' ' 24' ' ' ARG . . . -154.22 166.25 33.73 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.488 0.758 . . . . 0.0 109.312 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.488 ' NE2' ' ND1' ' A' ' 35' ' ' HIS . 3.1 mm-40 -126.17 127.02 45.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.575 1.172 . . . . 0.0 110.255 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -128.22 177.69 6.76 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.515 1.134 . . . . 0.0 109.297 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -83.96 -56.65 2.55 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.489 1.118 . . . . 0.0 110.99 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 6.6 mt -58.89 -45.37 90.39 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 0.753 . . . . 0.0 109.315 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -145.48 -170.11 3.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.11 . . . . 0.0 108.268 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.446 ' N ' ' O ' ' A' ' 43' ' ' THR . 7.1 t -153.74 138.22 16.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 0.0 110.028 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 11.7 m -102.3 20.62 16.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 0.0 108.326 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.523 ' CG ' ' HD2' ' A' ' 36' ' ' PRO . 0.1 OUTLIER -95.39 151.63 38.77 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.466 1.104 . . . . 0.0 109.596 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.523 ' HD2' ' CG ' ' A' ' 35' ' ' HIS . 18.5 Cg_endo -74.94 0.15 9.22 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.487 1.783 . . . . 0.0 111.031 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -96.61 -9.0 30.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 110.366 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . 0.442 ' O ' ' N ' ' A' ' 42' ' ' GLY . 12.9 p -52.72 -22.47 5.26 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 108.291 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.36 -44.59 67.79 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 110.035 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -76.22 -33.73 48.35 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.493 1.121 . . . . 0.0 111.015 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 67.9 mt -81.05 -59.56 2.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 0.742 . . . . 0.0 109.275 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.442 ' N ' ' O ' ' A' ' 38' ' ' CYS . . . 112.65 27.94 3.64 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.504 1.128 . . . . 0.0 111.052 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.446 ' O ' ' N ' ' A' ' 33' ' ' SER . 47.2 p -116.86 44.54 2.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 0.758 . . . . 0.0 110.396 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 39.5 m -79.62 146.64 32.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 108.269 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . 0.776 ' SG ' ' SG ' ' A' ' 21' ' ' CYS . 1.3 m -86.18 163.27 17.91 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.545 1.153 . . . . 0.0 108.297 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -74.59 -28.07 60.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.113 . . . . 0.0 110.314 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -113.13 18.08 18.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 109.282 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.455 ' O ' ' N ' ' A' ' 52' ' ' CYS . 22.7 t80 -69.05 -48.42 62.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 110.978 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.45 ' O ' ' CB ' ' A' ' 53' ' ' LEU . 4.9 mt -73.76 -31.81 63.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.142 . . . . 0.0 109.292 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -58.74 -39.48 81.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.304 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 22.2 m-85 -99.31 -21.96 15.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 110.984 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . 0.455 ' N ' ' O ' ' A' ' 48' ' ' PHE . 1.7 m -124.02 64.94 1.05 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 108.283 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.45 ' CB ' ' O ' ' A' ' 49' ' ' LEU . 0.3 OUTLIER -102.56 29.38 5.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 109.298 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -174.65 38.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 0.0 110.291 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.415 ' CD1' ' HB3' ' A' ' 52' ' ' CYS . 9.5 pt . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 109.262 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 45.1 t . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 110.06 -0.348 . . . . 0.0 110.06 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.834 ' SG ' ' SG ' ' A' ' 45' ' ' CYS . 71.6 m -126.85 48.56 2.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 108.328 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.595 ' O ' ' CD1' ' A' ' 51' ' ' TYR . 0.2 OUTLIER -48.26 -73.3 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 110.046 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.5 ' CD2' ' O ' ' A' ' 23' ' ' LEU . 0.0 OUTLIER -114.1 -4.43 13.15 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 0.0 109.268 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.444 ' HA ' ' CZ ' ' A' ' 24' ' ' ARG . 5.4 mmp_? -46.87 -93.19 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 110.281 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 87.5 m 59.33 40.3 21.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.145 . . . . 0.0 108.298 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 166.1 55.98 0.03 OUTLIER Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.521 1.138 . . . . 0.0 110.981 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.413 ' O ' ' N ' ' A' ' 34' ' ' CYS . . . -156.13 159.12 38.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.543 0.79 . . . . 0.0 109.277 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.43 ' CG ' ' HB2' ' A' ' 35' ' ' HIS . 61.2 mt-30 -126.05 127.15 45.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 110.252 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -128.37 177.05 7.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 109.282 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -81.73 -58.64 2.48 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.551 1.157 . . . . 0.0 111.014 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.7 mt -57.22 -45.28 83.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.55 0.794 . . . . 0.0 109.309 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -146.39 -168.96 3.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.103 . . . . 0.0 108.347 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.443 ' N ' ' O ' ' A' ' 43' ' ' THR . 38.0 t -159.16 144.73 16.17 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.983 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.413 ' N ' ' O ' ' A' ' 27' ' ' ALA . 7.8 m -106.72 14.28 27.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.112 . . . . 0.0 108.299 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.44 ' CG ' ' HD2' ' A' ' 36' ' ' PRO . 0.0 OUTLIER -88.05 154.85 52.5 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.451 1.094 . . . . 0.0 109.608 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.44 ' HD2' ' CG ' ' A' ' 35' ' ' HIS . 18.2 Cg_endo -75.0 -18.27 18.86 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.472 1.775 . . . . 0.0 110.999 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 21.0 p -82.03 -11.67 58.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 110.381 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . 0.4 ' SG ' ' O ' ' A' ' 35' ' ' HIS . 14.3 p -57.93 -18.94 26.46 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.554 1.159 . . . . 0.0 108.344 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 15.6 t -70.78 -42.62 70.14 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.537 1.148 . . . . 0.0 109.998 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -74.66 -33.4 55.85 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.487 1.117 . . . . 0.0 110.977 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.1 mt -81.47 -54.35 5.52 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 0.762 . . . . 0.0 109.294 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 105.47 37.89 2.53 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.482 1.114 . . . . 0.0 110.981 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.443 ' O ' ' N ' ' A' ' 33' ' ' SER . 41.5 p -118.04 18.39 13.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.557 0.798 . . . . 0.0 110.375 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 61.7 m -61.91 149.27 40.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.456 1.098 . . . . 0.0 108.299 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . 0.834 ' SG ' ' SG ' ' A' ' 21' ' ' CYS . 0.8 OUTLIER -86.53 169.2 13.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 108.28 -179.967 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -78.98 -22.64 45.3 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.511 1.132 . . . . 0.0 110.281 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 32.3 p30 -113.01 15.02 19.74 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.285 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.453 ' O ' ' N ' ' A' ' 52' ' ' CYS . 22.6 t80 -68.73 -48.16 64.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.455 1.097 . . . . 0.0 110.997 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.49 ' O ' ' CB ' ' A' ' 53' ' ' LEU . 8.5 mt -73.47 -35.09 65.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 109.273 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -58.6 -39.77 81.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 109.303 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.595 ' CD1' ' O ' ' A' ' 22' ' ' SER . 6.3 m-85 -95.58 -22.13 17.81 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 111.038 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . 0.453 ' N ' ' O ' ' A' ' 48' ' ' PHE . 1.8 m -128.15 64.63 1.39 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 108.331 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.49 ' CB ' ' O ' ' A' ' 49' ' ' LEU . 0.2 OUTLIER -99.77 28.44 4.73 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.528 1.142 . . . . 0.0 109.254 -179.948 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -177.74 40.88 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.474 1.109 . . . . 0.0 110.317 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.442 ' CG2' ' HB3' ' A' ' 52' ' ' CYS . 7.2 pt . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 109.313 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.2 t . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 110.037 -0.357 . . . . 0.0 110.037 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.875 ' SG ' ' SG ' ' A' ' 45' ' ' CYS . 70.7 m -126.86 49.2 2.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.46 1.1 . . . . 0.0 108.311 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 15.6 m -83.9 -51.37 7.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 0.0 110.008 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -112.52 30.76 6.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 109.331 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.474 ' HD2' ' CB ' ' A' ' 27' ' ' ALA . 0.4 OUTLIER -119.31 -92.58 0.53 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.522 1.139 . . . . 0.0 110.276 -179.964 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 62.2 m 59.61 40.21 20.41 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.104 . . . . 0.0 108.273 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 165.3 57.41 0.02 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.454 1.097 . . . . 0.0 111.043 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.474 ' CB ' ' HD2' ' A' ' 24' ' ' ARG . . . -156.2 167.22 31.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 0.777 . . . . 0.0 109.306 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 76.2 mt-30 -126.23 126.96 44.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 110.29 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -128.33 174.64 9.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 109.312 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -81.11 -46.95 6.77 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.485 1.116 . . . . 0.0 110.951 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 25.7 mt -65.96 -32.22 73.58 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.525 0.779 . . . . 0.0 109.287 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 24.9 p -166.76 -168.82 1.2 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 108.283 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 27.7 t -148.59 137.56 21.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.128 . . . . 0.0 110.009 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.423 ' N ' ' O ' ' A' ' 27' ' ' ALA . 13.7 m -100.21 4.21 44.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 108.291 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.513 ' CG ' ' HD2' ' A' ' 36' ' ' PRO . 0.4 OUTLIER -74.93 149.47 85.42 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 109.64 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.513 ' HD2' ' CG ' ' A' ' 35' ' ' HIS . 18.2 Cg_endo -75.05 -1.61 11.47 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.491 1.785 . . . . 0.0 110.993 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 38.1 p -99.93 -3.18 32.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 110.415 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . 0.418 ' O ' ' N ' ' A' ' 42' ' ' GLY . 20.7 p -69.65 -20.72 63.58 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.593 1.183 . . . . 0.0 108.305 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 21.0 p -63.51 -41.87 98.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 110.018 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -73.94 -27.51 66.54 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.465 1.103 . . . . 0.0 110.993 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.409 HD21 ' N ' ' A' ' 41' ' ' LEU . 0.1 OUTLIER -83.9 -67.56 0.78 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.496 0.763 . . . . 0.0 109.297 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.418 ' N ' ' O ' ' A' ' 38' ' ' CYS . . . 117.72 39.63 0.76 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.508 1.13 . . . . 0.0 110.965 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 20.2 p -119.14 -3.28 10.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 0.771 . . . . 0.0 110.374 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . 0.416 ' HB3' ' CD2' ' A' ' 48' ' ' PHE . 20.7 m -42.7 143.7 0.66 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 108.296 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . 0.875 ' SG ' ' SG ' ' A' ' 21' ' ' CYS . 1.9 m -72.51 160.63 31.97 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.553 1.158 . . . . 0.0 108.31 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -69.64 -23.2 63.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.45 1.094 . . . . 0.0 110.299 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -112.87 19.59 17.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.328 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.463 ' O ' ' N ' ' A' ' 52' ' ' CYS . 23.2 t80 -66.91 -48.09 69.76 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 111.024 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 11.0 mt -73.52 -30.67 63.25 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.52 1.138 . . . . 0.0 109.287 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -58.73 -33.6 70.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 109.289 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.464 ' CB ' ' O ' ' A' ' 21' ' ' CYS . 37.2 m-85 -107.9 -17.88 13.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.451 1.094 . . . . 0.0 111.001 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . 0.463 ' N ' ' O ' ' A' ' 48' ' ' PHE . 2.0 m -127.22 66.84 1.29 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.118 . . . . 0.0 108.308 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -107.03 29.85 6.7 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 0.0 109.279 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -177.88 38.96 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 110.31 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 6.0 pt . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.537 1.148 . . . . 0.0 109.284 -179.98 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 4.2 t . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.993 -0.373 . . . . 0.0 109.993 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.791 ' SG ' ' SG ' ' A' ' 45' ' ' CYS . 72.5 m -126.52 45.6 2.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 108.334 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.519 ' HA ' ' CG ' ' A' ' 51' ' ' TYR . 43.7 p -81.44 -51.68 8.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 110.011 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -109.22 32.53 4.89 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 109.302 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.472 ' HD2' ' CB ' ' A' ' 27' ' ' ALA . 0.3 OUTLIER -124.45 -93.8 0.5 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.101 . . . . 0.0 110.298 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 47.0 m 59.42 40.16 21.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 108.305 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . 0.412 ' N ' ' O ' ' A' ' 34' ' ' CYS . . . 165.36 56.04 0.02 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.531 1.144 . . . . 0.0 111.007 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.472 ' CB ' ' HD2' ' A' ' 24' ' ' ARG . . . -154.62 167.76 29.04 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.509 0.77 . . . . 0.0 109.308 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -126.31 126.93 44.75 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.562 1.164 . . . . 0.0 110.315 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -128.4 177.08 7.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.311 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -83.88 -55.31 2.84 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.53 1.144 . . . . 0.0 110.978 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -58.88 -41.57 87.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 0.753 . . . . 0.0 109.299 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . 0.45 ' SG ' ' N ' ' A' ' 33' ' ' SER . 1.1 p -150.13 -161.72 1.4 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 108.319 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.45 ' N ' ' SG ' ' A' ' 32' ' ' CYS . 9.2 t -160.78 137.99 9.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.155 . . . . 0.0 110.017 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.412 ' O ' ' N ' ' A' ' 26' ' ' GLY . 10.3 m -103.4 25.28 9.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 108.329 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.522 ' CG ' ' HD2' ' A' ' 36' ' ' PRO . 0.1 OUTLIER -101.54 152.78 38.11 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 109.65 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.522 ' HD2' ' CG ' ' A' ' 35' ' ' HIS . 18.3 Cg_endo -75.0 -0.96 10.61 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.555 1.818 . . . . 0.0 111.002 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 4.4 p -102.21 6.06 40.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 110.391 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . 0.435 ' O ' ' N ' ' A' ' 42' ' ' GLY . 19.3 p -68.12 -20.49 64.92 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.469 1.105 . . . . 0.0 108.317 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -70.07 -44.01 70.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 109.957 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -70.2 -32.17 68.98 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.47 1.106 . . . . 0.0 110.979 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.3 mt -84.67 -63.75 1.28 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.542 0.789 . . . . 0.0 109.291 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.435 ' N ' ' O ' ' A' ' 38' ' ' CYS . . . 115.05 37.65 1.11 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.544 1.153 . . . . 0.0 111.017 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.443 ' O ' ' N ' ' A' ' 33' ' ' SER . 61.5 p -123.42 27.28 7.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 0.784 . . . . 0.0 110.343 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 37.0 m -65.99 145.96 55.26 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 108.27 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . 0.791 ' SG ' ' SG ' ' A' ' 21' ' ' CYS . 0.0 OUTLIER -88.49 151.36 22.58 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.456 1.097 . . . . 0.0 108.309 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -67.47 -18.48 65.08 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.476 1.11 . . . . 0.0 110.328 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 27.9 p30 -112.98 17.65 18.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 109.278 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.562 ' CE1' HD13 ' A' ' 55' ' ' ILE . 14.1 t80 -68.99 -48.51 62.93 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.123 . . . . 0.0 111.013 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.512 HD13 ' CD2' ' A' ' 48' ' ' PHE . 0.0 OUTLIER -73.96 -30.47 62.54 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 109.321 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -58.05 -37.03 73.63 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 1.135 . . . . 0.0 109.319 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.519 ' CG ' ' HA ' ' A' ' 22' ' ' SER . 36.3 m-85 -106.01 -16.82 14.52 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 111.012 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . 0.476 ' HB3' ' CG2' ' A' ' 55' ' ' ILE . 0.3 OUTLIER -132.98 67.4 1.53 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.558 1.161 . . . . 0.0 108.304 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.41 ' CB ' ' O ' ' A' ' 49' ' ' LEU . 0.5 OUTLIER -98.27 30.68 3.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 109.289 -179.976 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -177.76 40.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.564 1.165 . . . . 0.0 110.304 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.562 HD13 ' CE1' ' A' ' 48' ' ' PHE . 10.8 pt . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.302 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.3 t . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.991 -0.374 . . . . 0.0 109.991 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.77 ' SG ' ' SG ' ' A' ' 45' ' ' CYS . 57.0 m -124.09 58.11 1.19 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.538 1.149 . . . . 0.0 108.323 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 4.9 t -65.71 -64.77 0.78 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.458 1.099 . . . . 0.0 109.961 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.415 HD23 ' N ' ' A' ' 24' ' ' ARG . 0.4 OUTLIER -116.89 -4.04 11.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 0.0 109.346 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.467 ' HD2' ' CB ' ' A' ' 27' ' ' ALA . 0.4 OUTLIER -60.82 -92.08 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 110.285 -179.954 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 56.9 m 59.76 40.04 20.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.099 . . . . 0.0 108.3 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . 0.415 ' N ' ' O ' ' A' ' 34' ' ' CYS . . . 168.1 55.8 0.03 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.448 1.093 . . . . 0.0 110.976 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.467 ' CB ' ' HD2' ' A' ' 24' ' ' ARG . . . -156.2 166.79 32.42 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.484 0.755 . . . . 0.0 109.262 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -126.31 126.94 44.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 110.315 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -128.2 173.57 10.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 109.316 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -78.12 -55.99 3.89 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.508 1.13 . . . . 0.0 110.999 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -58.6 -47.13 85.37 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 0.77 . . . . 0.0 109.311 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -146.03 -168.25 2.94 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.155 . . . . 0.0 108.347 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.436 ' N ' ' O ' ' A' ' 43' ' ' THR . 22.3 t -154.04 140.98 19.25 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.48 1.112 . . . . 0.0 110.024 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.423 ' N ' ' O ' ' A' ' 27' ' ' ALA . 20.7 m -104.88 27.39 8.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.152 . . . . 0.0 108.269 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.515 ' CG ' ' HD2' ' A' ' 36' ' ' PRO . 0.2 OUTLIER -107.53 150.74 40.49 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.585 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.515 ' HD2' ' CG ' ' A' ' 35' ' ' HIS . 18.1 Cg_endo -75.07 0.14 9.29 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.485 1.781 . . . . 0.0 111.028 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 30.4 p -95.17 -7.2 39.86 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.552 1.158 . . . . 0.0 110.413 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . 0.449 ' O ' ' N ' ' A' ' 42' ' ' GLY . 19.7 p -63.98 -20.21 65.72 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.522 1.138 . . . . 0.0 108.306 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 85.6 p -67.22 -41.5 85.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.14 . . . . 0.0 110.002 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -76.05 -33.63 49.46 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.445 1.091 . . . . 0.0 110.965 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -82.65 -68.39 0.71 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 0.749 . . . . 0.0 109.293 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 38' ' ' CYS . . . 120.76 42.05 0.5 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.472 1.108 . . . . 0.0 110.981 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.436 ' O ' ' N ' ' A' ' 33' ' ' SER . 75.4 p -124.21 24.02 8.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 0.771 . . . . 0.0 110.409 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 55.8 m -64.73 147.36 53.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 108.318 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . 0.77 ' SG ' ' SG ' ' A' ' 21' ' ' CYS . 0.0 OUTLIER -87.08 161.56 18.07 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.503 1.127 . . . . 0.0 108.312 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -73.52 -26.93 61.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 110.324 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -109.58 16.39 22.23 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.51 1.131 . . . . 0.0 109.339 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.458 ' O ' ' N ' ' A' ' 52' ' ' CYS . 18.6 t80 -68.89 -48.07 64.27 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.533 1.146 . . . . 0.0 111.026 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.452 ' O ' ' CB ' ' A' ' 53' ' ' LEU . 6.5 mt -73.56 -33.81 64.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.123 . . . . 0.0 109.301 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -58.79 -38.95 79.68 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.121 . . . . 0.0 109.313 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.414 ' CB ' ' O ' ' A' ' 21' ' ' CYS . 4.8 m-85 -98.1 -20.79 17.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 0.0 111.024 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . 0.458 ' N ' ' O ' ' A' ' 48' ' ' PHE . 1.8 m -126.22 64.29 1.24 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.549 1.155 . . . . 0.0 108.307 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.452 ' CB ' ' O ' ' A' ' 49' ' ' LEU . 0.3 OUTLIER -103.03 30.88 4.53 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 109.281 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -176.76 37.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 110.328 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 6.1 pt . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 0.0 109.312 -179.985 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.969 -0.382 . . . . 0.0 109.969 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.776 ' SG ' ' SG ' ' A' ' 45' ' ' CYS . 61.9 m -123.9 54.78 1.3 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.142 . . . . 0.0 108.325 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 38.8 t -64.8 -62.87 1.3 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.148 . . . . 0.0 110.007 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 3.9 pp -110.6 -23.0 11.34 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 0.0 109.273 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.464 ' HD2' ' CB ' ' A' ' 27' ' ' ALA . 0.3 OUTLIER -44.17 -94.32 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.146 . . . . 0.0 110.344 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 33.5 m 59.22 40.12 21.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 108.291 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . 0.434 ' N ' ' O ' ' A' ' 34' ' ' CYS . . . 166.39 54.76 0.03 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.527 1.142 . . . . 0.0 110.967 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.464 ' CB ' ' HD2' ' A' ' 24' ' ' ARG . . . -154.03 165.73 35.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 0.744 . . . . 0.0 109.296 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 31.9 mt-30 -126.14 126.99 45.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.441 1.088 . . . . 0.0 110.344 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -128.33 176.52 7.63 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.289 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -83.1 -51.33 4.22 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.441 1.088 . . . . 0.0 111.01 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.4 -38.46 89.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 0.756 . . . . 0.0 109.317 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . 0.433 ' SG ' ' N ' ' A' ' 33' ' ' SER . 1.1 p -154.27 -161.99 1.33 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.109 . . . . 0.0 108.345 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.435 ' N ' ' O ' ' A' ' 43' ' ' THR . 27.5 t -161.19 137.37 8.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 109.99 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.446 ' N ' ' O ' ' A' ' 27' ' ' ALA . 19.2 m -102.6 28.62 5.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.551 1.157 . . . . 0.0 108.299 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.52 ' CG ' ' HD2' ' A' ' 36' ' ' PRO . 0.1 OUTLIER -109.78 152.68 43.06 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.125 . . . . 0.0 109.56 -179.969 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.52 ' HD2' ' CG ' ' A' ' 35' ' ' HIS . 18.3 Cg_endo -74.95 -3.34 13.77 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.505 1.792 . . . . 0.0 111.024 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 30.9 p -93.07 0.75 57.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 0.0 110.36 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . 0.439 ' O ' ' N ' ' A' ' 42' ' ' GLY . 22.2 p -74.42 -13.7 60.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 108.287 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 6.3 t -70.88 -42.28 70.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.144 . . . . 0.0 109.988 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -75.96 -34.07 48.63 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.513 1.133 . . . . 0.0 111.013 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.6 mt -82.31 -59.82 2.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 0.776 . . . . 0.0 109.315 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.439 ' N ' ' O ' ' A' ' 38' ' ' CYS . . . 110.79 32.54 2.64 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.504 1.128 . . . . 0.0 111.022 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.435 ' O ' ' N ' ' A' ' 33' ' ' SER . 47.0 p -110.64 21.21 16.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 0.768 . . . . 0.0 110.365 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 39.5 m -63.69 146.65 53.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 108.27 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . 0.776 ' SG ' ' SG ' ' A' ' 21' ' ' CYS . 0.4 OUTLIER -84.41 167.76 16.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.107 . . . . 0.0 108.253 -179.962 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -77.54 -25.59 50.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 110.325 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.6 p30 -112.9 15.05 19.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.266 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.466 ' O ' ' N ' ' A' ' 52' ' ' CYS . 13.4 t80 -69.1 -48.2 63.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 110.977 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.495 ' O ' ' CB ' ' A' ' 53' ' ' LEU . 10.0 mt -73.68 -35.82 65.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 109.336 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -58.76 -40.76 84.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 109.362 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -94.06 -22.87 18.24 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 110.985 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . 0.469 ' HB3' ' CG2' ' A' ' 55' ' ' ILE . 1.0 OUTLIER -128.52 64.72 1.42 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 108.275 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.495 ' CB ' ' O ' ' A' ' 49' ' ' LEU . 0.2 OUTLIER -97.45 12.83 31.93 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.452 1.095 . . . . 0.0 109.298 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -163.34 45.79 0.12 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.463 1.102 . . . . 0.0 110.306 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.469 ' CG2' ' HB3' ' A' ' 52' ' ' CYS . 6.8 pt . . . . . 0 C--N 1.324 -0.513 0 O-C-N 124.532 1.145 . . . . 0.0 109.31 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.1 m . . . . . 0 N--CA 1.454 -0.266 0 N-CA-C 109.979 -0.378 . . . . 0.0 109.979 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 20.4 m -94.76 73.43 3.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 108.346 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.5 -36.52 76.57 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.458 1.099 . . . . 0.0 109.964 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.499 ' CD2' ' O ' ' A' ' 23' ' ' LEU . 0.0 OUTLIER -167.94 32.13 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 0.0 109.303 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 17.0 mmm180 -90.71 -70.71 0.66 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 110.277 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 95.3 m 58.71 21.42 8.85 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 108.322 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 177.49 74.17 0.06 OUTLIER Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.447 1.092 . . . . 0.0 111.006 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -160.21 153.43 21.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.456 0.739 . . . . 0.0 109.351 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 28.7 mt-30 -120.57 126.82 51.28 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.132 . . . . 0.0 110.267 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -128.29 178.03 6.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 109.28 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -87.32 -29.18 22.92 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.482 1.114 . . . . 0.0 110.992 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 12.0 mt -86.39 -41.04 14.81 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.471 0.748 . . . . 0.0 109.27 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -154.72 -176.95 6.16 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.512 1.132 . . . . 0.0 108.318 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.448 ' N ' ' O ' ' A' ' 43' ' ' THR . 25.9 t -152.02 136.43 16.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 110.044 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.409 ' HA ' ' CD1' ' A' ' 48' ' ' PHE . 23.1 m -97.42 10.52 39.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.458 1.099 . . . . 0.0 108.345 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.525 ' CG ' ' HD2' ' A' ' 36' ' ' PRO . 0.7 OUTLIER -83.9 147.99 52.9 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.125 . . . . 0.0 109.628 179.988 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.525 ' HD2' ' CG ' ' A' ' 35' ' ' HIS . 18.4 Cg_endo -74.93 -5.54 16.93 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.484 1.781 . . . . 0.0 111.052 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 82.2 p -93.77 -4.07 50.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.143 . . . . 0.0 110.407 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . 0.442 ' O ' ' N ' ' A' ' 42' ' ' GLY . 20.7 p -68.23 -17.85 64.41 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.515 1.135 . . . . 0.0 108.317 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 7.7 t -66.33 -44.39 83.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 110.027 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -76.18 -27.99 61.01 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.56 1.162 . . . . 0.0 111.025 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 11.5 mt -82.88 -65.22 1.04 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 0.754 . . . . 0.0 109.288 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.442 ' N ' ' O ' ' A' ' 38' ' ' CYS . . . 116.66 40.34 0.79 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.536 1.148 . . . . 0.0 110.976 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.448 ' O ' ' N ' ' A' ' 33' ' ' SER . 72.8 p -125.41 19.81 8.08 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.511 0.771 . . . . 0.0 110.388 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 60.5 m -63.09 148.74 47.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.146 . . . . 0.0 108.288 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -84.77 164.92 18.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 108.273 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -80.72 -22.58 40.15 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.577 1.173 . . . . 0.0 110.299 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -113.06 12.96 19.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 109.302 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.431 ' O ' ' N ' ' A' ' 52' ' ' CYS . 11.1 t80 -67.75 -48.41 66.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 110.983 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.471 ' O ' ' CG ' ' A' ' 53' ' ' LEU . 10.6 mt -73.89 -34.26 64.35 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 109.3 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -62.13 -30.4 71.01 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.464 1.103 . . . . 0.0 109.343 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 6.5 m-85 -100.54 -29.35 12.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 111.039 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . 0.474 ' HB3' ' CG2' ' A' ' 55' ' ' ILE . 4.8 m -127.17 71.15 1.31 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 108.263 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.471 ' CG ' ' O ' ' A' ' 49' ' ' LEU . 0.2 OUTLIER -102.31 32.57 3.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.143 . . . . 0.0 109.311 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -172.41 37.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 110.283 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.474 ' CG2' ' HB3' ' A' ' 52' ' ' CYS . 6.9 pt . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 109.308 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 68.2 m . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 110.03 -0.359 . . . . 0.0 110.03 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.911 ' SG ' ' SG ' ' A' ' 45' ' ' CYS . 79.0 m -128.51 40.57 3.63 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 108.276 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.523 ' HA ' ' CD1' ' A' ' 51' ' ' TYR . 1.1 p -73.22 -53.59 10.54 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.454 1.096 . . . . 0.0 109.977 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -111.21 42.3 1.68 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.472 1.107 . . . . 0.0 109.264 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.459 ' HD2' ' CB ' ' A' ' 27' ' ' ALA . 1.0 OUTLIER -132.02 -93.89 0.37 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 110.328 179.953 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 54.2 m 59.19 40.09 22.04 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.45 1.094 . . . . 0.0 108.266 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 165.78 55.45 0.03 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.504 1.128 . . . . 0.0 111.027 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.459 ' CB ' ' HD2' ' A' ' 24' ' ' ARG . . . -156.42 165.21 36.98 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 0.753 . . . . 0.0 109.307 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 98.2 mt-30 -126.19 126.98 44.98 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.535 1.147 . . . . 0.0 110.375 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -128.42 177.58 6.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.15 . . . . 0.0 109.313 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -81.53 -56.38 2.98 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.513 1.133 . . . . 0.0 111.026 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.3 mp -58.6 -47.05 85.64 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 0.754 . . . . 0.0 109.312 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -145.88 -174.39 4.41 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.53 1.144 . . . . 0.0 108.286 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.46 ' N ' ' O ' ' A' ' 43' ' ' THR . 10.5 t -149.13 137.56 20.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.987 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.435 ' N ' ' O ' ' A' ' 27' ' ' ALA . 12.8 m -102.42 22.56 13.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 108.284 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.524 ' CG ' ' HD2' ' A' ' 36' ' ' PRO . 0.1 OUTLIER -99.18 153.31 37.85 Favored Pre-proline 0 C--N 1.324 -0.524 0 O-C-N 124.492 1.12 . . . . 0.0 109.629 179.948 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.524 ' HD2' ' CG ' ' A' ' 35' ' ' HIS . 18.2 Cg_endo -75.06 0.02 9.44 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.546 1.814 . . . . 0.0 110.964 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -96.18 -10.13 28.87 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.539 1.15 . . . . 0.0 110.363 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 14.6 p -52.85 -22.66 5.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 108.293 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -69.73 -44.57 70.01 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 0.0 109.998 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -76.28 -31.87 53.58 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.49 1.119 . . . . 0.0 110.97 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 75.3 mt -81.15 -58.35 3.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 0.745 . . . . 0.0 109.285 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 110.69 27.04 4.52 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.433 1.083 . . . . 0.0 111.034 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.46 ' O ' ' N ' ' A' ' 33' ' ' SER . 46.2 p -118.97 42.66 2.76 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.496 0.763 . . . . 0.0 110.381 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 59.1 m -76.12 148.16 38.04 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.526 1.142 . . . . 0.0 108.326 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . 0.911 ' SG ' ' SG ' ' A' ' 21' ' ' CYS . 2.3 m -84.84 155.07 21.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 108.32 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -68.54 -27.74 66.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 110.333 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 6.7 p30 -113.24 17.6 18.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 109.3 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.463 ' O ' ' N ' ' A' ' 52' ' ' CYS . 16.3 t80 -64.83 -48.66 73.55 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.469 1.106 . . . . 0.0 110.977 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.464 ' O ' ' CB ' ' A' ' 53' ' ' LEU . 8.4 mt -74.03 -34.63 64.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 109.309 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -58.87 -37.79 77.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.125 . . . . 0.0 109.268 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.523 ' CD1' ' HA ' ' A' ' 22' ' ' SER . 4.9 m-85 -98.79 -20.51 16.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 111.032 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . 0.463 ' N ' ' O ' ' A' ' 48' ' ' PHE . 1.7 m -128.41 65.16 1.4 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 108.263 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.464 ' CB ' ' O ' ' A' ' 49' ' ' LEU . 0.3 OUTLIER -102.88 28.91 5.77 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 109.356 179.934 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -176.68 40.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 110.299 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.452 ' CD1' ' HB3' ' A' ' 52' ' ' CYS . 11.4 pt . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 0.0 109.302 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 4.5 p . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 109.996 -0.372 . . . . 0.0 109.996 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.961 ' SG ' ' SG ' ' A' ' 45' ' ' CYS . 73.5 m -126.91 48.52 2.18 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.467 1.105 . . . . 0.0 108.316 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.523 ' HA ' ' CG ' ' A' ' 51' ' ' TYR . 30.4 t -84.33 -46.71 11.48 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.55 1.156 . . . . 0.0 109.971 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -111.41 32.37 5.42 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.548 1.155 . . . . 0.0 109.272 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.463 ' HD2' ' CB ' ' A' ' 27' ' ' ALA . 1.2 mtt180 -124.06 -93.25 0.51 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.491 1.119 . . . . 0.0 110.277 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 74.2 m 59.41 40.32 21.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 108.279 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 166.53 55.37 0.03 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.534 1.146 . . . . 0.0 110.97 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.463 ' CB ' ' HD2' ' A' ' 24' ' ' ARG . . . -156.6 163.49 39.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 0.767 . . . . 0.0 109.255 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 69.5 mt-30 -126.2 126.98 44.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 110.295 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -128.35 177.73 6.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.1 . . . . 0.0 109.239 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -81.13 -59.82 2.36 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.488 1.117 . . . . 0.0 111.004 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.3 mp -54.31 -46.54 72.85 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 0.773 . . . . 0.0 109.322 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . 0.406 ' SG ' ' N ' ' A' ' 33' ' ' SER . 0.7 OUTLIER -146.46 -167.04 2.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 108.274 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.45 ' N ' ' O ' ' A' ' 43' ' ' THR . 18.8 t -155.89 140.61 17.04 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.518 1.136 . . . . 0.0 109.956 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.44 ' N ' ' O ' ' A' ' 27' ' ' ALA . 6.2 m -104.02 28.12 7.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 108.308 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.516 ' CG ' ' HD2' ' A' ' 36' ' ' PRO . 0.2 OUTLIER -109.17 152.07 42.35 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.504 1.127 . . . . 0.0 109.622 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.516 ' HD2' ' CG ' ' A' ' 35' ' ' HIS . 18.3 Cg_endo -75.01 -5.21 16.5 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.484 1.781 . . . . 0.0 111.014 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 41.9 p -86.73 -12.65 47.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.142 . . . . 0.0 110.408 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . 0.447 ' O ' ' N ' ' A' ' 42' ' ' GLY . 22.0 p -60.35 -17.13 41.27 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.517 1.136 . . . . 0.0 108.26 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 6.0 t -70.66 -39.94 73.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.137 . . . . 0.0 110.032 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -76.16 -33.96 47.96 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.557 1.16 . . . . 0.0 110.98 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.2 mt -85.46 -65.7 0.98 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 0.763 . . . . 0.0 109.312 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' ' 38' ' ' CYS . . . 119.89 37.98 0.73 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.541 1.151 . . . . 0.0 111.037 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.45 ' O ' ' N ' ' A' ' 33' ' ' SER . 72.3 p -119.44 30.88 6.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 0.767 . . . . 0.0 110.385 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 56.4 m -70.16 147.66 49.6 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 108.344 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . 0.961 ' SG ' ' SG ' ' A' ' 21' ' ' CYS . 2.5 m -81.57 155.86 25.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.138 . . . . 0.0 108.278 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -68.93 -27.94 66.21 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.129 . . . . 0.0 110.294 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 6.8 p30 -113.07 16.89 19.16 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 109.276 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.442 ' O ' ' N ' ' A' ' 52' ' ' CYS . 13.1 t80 -62.95 -48.23 79.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 0.0 110.985 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.454 ' O ' ' CG ' ' A' ' 53' ' ' LEU . 5.3 mt -73.53 -30.91 63.38 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.485 1.116 . . . . 0.0 109.278 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -58.64 -38.3 77.8 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.443 1.09 . . . . 0.0 109.294 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.523 ' CG ' ' HA ' ' A' ' 22' ' ' SER . 34.2 m-85 -101.02 -22.41 14.76 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.518 1.136 . . . . 0.0 111.03 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . 0.442 ' N ' ' O ' ' A' ' 48' ' ' PHE . 2.0 m -123.23 65.54 0.99 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.46 1.1 . . . . 0.0 108.318 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.454 ' CG ' ' O ' ' A' ' 49' ' ' LEU . 0.3 OUTLIER -104.29 27.25 7.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 109.34 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -177.08 42.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.555 1.159 . . . . 0.0 110.293 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 7.4 pt . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.492 1.12 . . . . 0.0 109.316 -179.995 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.968 -0.382 . . . . 0.0 109.968 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 1.041 ' SG ' ' SG ' ' A' ' 45' ' ' CYS . 74.7 m -125.27 48.39 2.03 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.132 . . . . 0.0 108.277 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 10.6 m -82.65 -50.13 9.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.969 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -109.87 41.92 1.61 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.146 . . . . 0.0 109.292 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.466 ' HD2' ' CB ' ' A' ' 27' ' ' ALA . 1.0 OUTLIER -131.81 -93.2 0.38 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.143 . . . . 0.0 110.306 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 93.0 m 59.42 40.24 21.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.15 . . . . 0.0 108.304 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 160.27 60.16 0.01 OUTLIER Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.501 1.126 . . . . 0.0 111.026 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.466 ' CB ' ' HD2' ' A' ' 24' ' ' ARG . . . -156.46 162.43 39.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 0.783 . . . . 0.0 109.345 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 34.4 mt-30 -126.2 127.3 45.47 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.112 . . . . 0.0 110.268 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.49 ' CB ' ' O ' ' A' ' 32' ' ' CYS . 0.2 OUTLIER -128.15 177.25 7.04 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.524 1.14 . . . . 0.0 109.264 -179.964 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -82.56 -46.81 6.25 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.476 1.11 . . . . 0.0 110.963 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 72.4 mt -68.07 -42.59 80.23 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 0.764 . . . . 0.0 109.32 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . 0.49 ' O ' ' CB ' ' A' ' 29' ' ' ASP . 5.7 p -156.54 -179.62 8.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.12 . . . . 0.0 108.266 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 38.7 t -141.6 145.7 35.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.553 1.158 . . . . 0.0 110.03 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.411 ' N ' ' O ' ' A' ' 27' ' ' ALA . 6.9 m -110.04 11.61 23.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.544 1.153 . . . . 0.0 108.272 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.519 ' CG ' ' HD2' ' A' ' 36' ' ' PRO . 0.3 OUTLIER -82.85 149.98 61.02 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 109.597 -179.98 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.519 ' HD2' ' CG ' ' A' ' 35' ' ' HIS . 18.3 Cg_endo -74.96 -0.8 10.4 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.431 1.753 . . . . 0.0 111.012 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 16.8 p -101.06 -6.43 24.41 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.56 1.162 . . . . 0.0 110.392 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . 0.43 ' O ' ' N ' ' A' ' 42' ' ' GLY . 25.7 p -62.47 -21.65 65.63 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.453 1.096 . . . . 0.0 108.282 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -63.6 -40.95 98.23 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.523 1.139 . . . . 0.0 110.018 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -75.53 -26.36 65.68 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.478 1.111 . . . . 0.0 111.027 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.9 mt -86.12 -69.12 0.69 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 0.756 . . . . 0.0 109.283 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.43 ' N ' ' O ' ' A' ' 38' ' ' CYS . . . 119.4 40.39 0.63 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.53 1.144 . . . . 0.0 110.99 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 12.5 p -126.65 14.47 7.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 0.741 . . . . 0.0 110.352 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 58.5 m -55.59 148.16 16.51 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.133 . . . . 0.0 108.288 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . 1.041 ' SG ' ' SG ' ' A' ' 21' ' ' CYS . 4.4 m -77.46 147.89 35.67 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.476 1.11 . . . . 0.0 108.31 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -62.15 -25.86 67.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 110.243 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -111.0 19.27 18.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.561 1.163 . . . . 0.0 109.288 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.56 ' CD2' HD12 ' A' ' 49' ' ' LEU . 9.2 t80 -62.41 -48.17 80.9 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 0.0 110.997 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.56 HD12 ' CD2' ' A' ' 48' ' ' PHE . 0.0 OUTLIER -73.5 -30.59 63.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.131 . . . . 0.0 109.31 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -58.47 -28.37 65.27 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.131 . . . . 0.0 109.293 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.416 ' CB ' ' O ' ' A' ' 21' ' ' CYS . 46.3 m-85 -113.96 -18.66 11.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.132 . . . . 0.0 111.002 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . 0.456 ' N ' ' O ' ' A' ' 48' ' ' PHE . 2.2 m -132.34 71.0 1.46 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 108.359 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -101.01 27.3 6.15 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.531 1.144 . . . . 0.0 109.275 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -172.52 55.39 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.5 1.125 . . . . 0.0 110.311 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.507 HD11 ' CE1' ' A' ' 48' ' ' PHE . 5.0 pt . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 0.0 109.283 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 21.4 m . . . . . 0 N--CA 1.452 -0.34 0 N-CA-C 110.02 -0.363 . . . . 0.0 110.02 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 1.037 ' SG ' ' SG ' ' A' ' 45' ' ' CYS . 67.5 m -122.4 61.7 0.98 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 108.316 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 6.0 t -84.72 -57.92 2.93 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 109.997 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.441 ' CD2' ' C ' ' A' ' 23' ' ' LEU . 0.0 OUTLIER -116.7 26.05 10.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 109.304 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.465 ' HD2' ' CB ' ' A' ' 27' ' ' ALA . 0.7 OUTLIER -102.78 -92.8 0.33 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 0.0 110.293 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 60.9 m 59.61 40.19 20.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.452 1.095 . . . . 0.0 108.259 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 166.43 56.14 0.03 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.464 1.102 . . . . 0.0 111.022 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.465 ' CB ' ' HD2' ' A' ' 24' ' ' ARG . . . -156.28 164.69 38.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 0.765 . . . . 0.0 109.317 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 60.3 mt-30 -126.27 126.92 44.79 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 110.305 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -128.23 175.12 8.69 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 109.286 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -79.82 -54.75 3.8 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.497 1.123 . . . . 0.0 110.976 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -60.42 -46.64 89.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 0.757 . . . . 0.0 109.278 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -145.5 -171.34 3.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 108.339 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.438 ' N ' ' O ' ' A' ' 43' ' ' THR . 19.4 t -153.28 137.69 16.7 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.454 1.096 . . . . 0.0 109.951 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.437 ' N ' ' O ' ' A' ' 27' ' ' ALA . 12.7 m -102.98 28.36 6.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.567 1.167 . . . . 0.0 108.299 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.518 ' CG ' ' HD2' ' A' ' 36' ' ' PRO . 0.1 OUTLIER -107.42 152.4 41.28 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 109.599 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.518 ' HD2' ' CG ' ' A' ' 35' ' ' HIS . 18.3 Cg_endo -74.98 -0.16 9.63 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.549 1.815 . . . . 0.0 110.984 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 50.7 p -94.63 -11.33 29.53 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.465 1.103 . . . . 0.0 110.389 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . 0.441 ' O ' ' N ' ' A' ' 42' ' ' GLY . 21.0 p -55.35 -20.71 12.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.421 1.076 . . . . 0.0 108.312 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -67.62 -40.14 84.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.449 1.093 . . . . 0.0 109.983 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -75.73 -34.1 49.72 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.46 1.1 . . . . 0.0 111.029 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.1 mt -83.2 -67.72 0.77 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 0.756 . . . . 0.0 109.332 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 38' ' ' CYS . . . 118.07 42.33 0.61 Allowed Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.467 1.104 . . . . 0.0 111.043 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.438 ' O ' ' N ' ' A' ' 33' ' ' SER . 46.9 p -129.22 29.35 5.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.446 0.733 . . . . 0.0 110.38 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 33.7 m -63.37 144.71 56.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 108.288 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . 1.037 ' SG ' ' SG ' ' A' ' 21' ' ' CYS . 2.9 m -79.2 145.87 33.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 108.313 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -61.97 -26.24 68.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.565 1.166 . . . . 0.0 110.291 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -111.75 19.74 17.73 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.528 1.143 . . . . 0.0 109.335 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.542 ' CD2' HD13 ' A' ' 49' ' ' LEU . 11.4 t80 -66.92 -48.2 69.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 110.982 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.542 HD13 ' CD2' ' A' ' 48' ' ' PHE . 0.0 OUTLIER -73.34 -30.3 63.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.318 179.97 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -57.94 -38.78 76.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 0.0 109.31 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.499 ' CB ' ' O ' ' A' ' 21' ' ' CYS . 44.6 m-85 -104.31 -16.56 15.12 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.548 1.155 . . . . 0.0 111.019 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . 0.47 ' HB3' ' CD1' ' A' ' 55' ' ' ILE . 0.4 OUTLIER -132.76 66.44 1.56 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 108.278 179.976 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.44 ' CB ' ' O ' ' A' ' 49' ' ' LEU . 0.4 OUTLIER -97.48 8.9 43.75 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.471 1.107 . . . . 0.0 109.29 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -159.55 46.1 0.26 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 0.0 110.321 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.505 HD13 ' CE1' ' A' ' 48' ' ' PHE . 8.6 pt . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.471 1.107 . . . . 0.0 109.306 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 12.1 p . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 110.017 -0.364 . . . . 0.0 110.017 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.931 ' SG ' ' SG ' ' A' ' 45' ' ' CYS . 86.3 m -126.17 51.16 1.81 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 108.263 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.517 ' HA ' ' CG ' ' A' ' 51' ' ' TYR . 77.1 p -84.83 -47.48 10.32 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 109.956 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -112.41 26.58 10.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 109.272 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.472 ' HD2' ' CB ' ' A' ' 27' ' ' ALA . 1.1 mtt180 -117.43 -94.29 0.5 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.474 1.109 . . . . 0.0 110.299 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 60.3 m 59.43 40.12 21.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 108.309 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 165.63 55.19 0.02 OUTLIER Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.497 1.123 . . . . 0.0 110.992 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.472 ' CB ' ' HD2' ' A' ' 24' ' ' ARG . . . -154.42 166.95 31.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.451 0.736 . . . . 0.0 109.303 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 29.8 mt-30 -126.24 127.18 45.23 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.529 1.143 . . . . 0.0 110.299 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -128.18 173.27 10.25 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 0.0 109.306 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -79.91 -55.13 3.65 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.533 1.145 . . . . 0.0 111.003 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 29.1 mt -60.77 -41.64 95.9 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 0.778 . . . . 0.0 109.269 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -150.44 -170.62 3.7 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.144 . . . . 0.0 108.273 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.449 ' N ' ' O ' ' A' ' 43' ' ' THR . 18.6 t -153.3 139.21 18.1 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.513 1.133 . . . . 0.0 110.008 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 8.7 m -103.4 26.99 7.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 108.301 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.519 ' CG ' ' HD2' ' A' ' 36' ' ' PRO . 0.1 OUTLIER -105.74 151.82 40.0 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.582 -179.974 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.519 ' HD2' ' CG ' ' A' ' 35' ' ' HIS . 18.2 Cg_endo -74.95 -0.06 9.48 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.468 1.773 . . . . 0.0 110.984 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 66.2 p -96.99 -2.27 43.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.106 . . . . 0.0 110.393 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . 0.431 ' O ' ' N ' ' A' ' 42' ' ' GLY . 26.6 p -67.35 -19.06 65.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 108.304 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.6 m -67.5 -41.97 83.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 110.041 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -75.71 -32.26 54.42 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.444 1.09 . . . . 0.0 110.988 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 16.2 mt -82.38 -66.02 0.94 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 0.768 . . . . 0.0 109.333 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.431 ' N ' ' O ' ' A' ' 38' ' ' CYS . . . 116.8 38.45 0.89 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.472 1.108 . . . . 0.0 110.981 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.449 ' O ' ' N ' ' A' ' 33' ' ' SER . 58.9 p -125.56 27.89 6.38 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 0.767 . . . . 0.0 110.43 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 57.2 m -64.47 147.25 53.13 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.461 1.1 . . . . 0.0 108.263 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . 0.931 ' SG ' ' SG ' ' A' ' 21' ' ' CYS . 3.9 m -80.38 150.82 29.71 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.48 1.112 . . . . 0.0 108.291 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -65.08 -27.8 69.02 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.477 1.11 . . . . 0.0 110.272 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -110.96 20.82 17.12 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.486 1.116 . . . . 0.0 109.297 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.55 ' CD2' HD12 ' A' ' 49' ' ' LEU . 29.0 t80 -66.07 -48.57 70.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 0.0 110.954 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.55 HD12 ' CD2' ' A' ' 48' ' ' PHE . 0.2 OUTLIER -73.75 -30.05 62.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.434 1.084 . . . . 0.0 109.287 -179.966 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -57.77 -40.77 80.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.135 . . . . 0.0 109.313 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.517 ' CG ' ' HA ' ' A' ' 22' ' ' SER . 48.2 m-85 -101.67 -20.96 14.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 110.997 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . 0.472 ' HB3' ' CG2' ' A' ' 55' ' ' ILE . 0.1 OUTLIER -128.14 66.55 1.36 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.111 . . . . 0.0 108.25 -179.951 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.453 ' CB ' ' O ' ' A' ' 49' ' ' LEU . 0.3 OUTLIER -95.81 7.62 45.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.27 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -158.17 48.4 0.37 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 110.297 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.472 ' CG2' ' HB3' ' A' ' 52' ' ' CYS . 9.1 pt . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.554 1.158 . . . . 0.0 109.322 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 110.021 -0.362 . . . . 0.0 110.021 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.589 ' SG ' ' SG ' ' A' ' 45' ' ' CYS . 37.2 m -128.32 44.5 2.94 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 108.296 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.456 ' HA ' ' CD1' ' A' ' 51' ' ' TYR . 29.0 t -75.3 -1.87 25.63 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.127 . . . . 0.0 110.017 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.497 ' CD1' ' C ' ' A' ' 23' ' ' LEU . 0.1 OUTLIER -168.99 32.52 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 109.34 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.501 ' CB ' ' SG ' ' A' ' 34' ' ' CYS . 1.8 mmm180 -105.38 -92.53 0.37 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.521 1.138 . . . . 0.0 110.294 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 72.6 m 59.63 40.34 20.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 108.289 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 158.35 61.21 0.01 OUTLIER Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.523 1.14 . . . . 0.0 111.043 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.44 ' CB ' ' NE ' ' A' ' 24' ' ' ARG . . . -158.86 155.62 28.13 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.492 0.76 . . . . 0.0 109.245 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 5.0 mm-40 -126.09 126.62 44.49 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.521 1.138 . . . . 0.0 110.307 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -128.63 177.8 6.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.44 1.087 . . . . 0.0 109.268 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -84.31 -50.65 4.21 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.491 1.119 . . . . 0.0 111.017 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -61.78 -43.53 98.68 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.526 0.78 . . . . 0.0 109.296 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . 0.439 ' SG ' ' N ' ' A' ' 33' ' ' SER . 0.9 OUTLIER -150.05 -162.43 1.55 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 108.284 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.439 ' N ' ' SG ' ' A' ' 32' ' ' CYS . 23.3 t -165.25 139.35 4.82 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.508 1.13 . . . . 0.0 110.018 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.52 ' HA ' ' CD1' ' A' ' 48' ' ' PHE . 4.7 m -101.45 12.1 37.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 108.33 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.524 ' CG ' ' HD2' ' A' ' 36' ' ' PRO . 0.1 OUTLIER -83.21 152.32 64.64 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.133 . . . . 0.0 109.617 -179.981 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.524 ' HD2' ' CG ' ' A' ' 35' ' ' HIS . 18.3 Cg_endo -74.98 -19.87 17.47 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.505 1.792 . . . . 0.0 110.993 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 10.4 p -83.1 -2.43 55.39 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 110.381 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 15.7 p -64.45 -15.04 59.99 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.466 1.104 . . . . 0.0 108.305 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 98.4 p -70.47 -41.75 72.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.143 . . . . 0.0 109.998 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -76.05 -30.48 57.3 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.505 1.128 . . . . 0.0 110.989 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.4 mt -83.53 -55.83 4.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 0.774 . . . . 0.0 109.272 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 103.81 36.8 3.13 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.545 1.153 . . . . 0.0 110.963 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.432 ' O ' ' N ' ' A' ' 33' ' ' SER . 46.8 p -116.97 18.58 14.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.453 0.737 . . . . 0.0 110.425 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 35.5 m -62.1 146.14 51.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 108.263 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . 0.589 ' SG ' ' SG ' ' A' ' 21' ' ' CYS . 0.2 OUTLIER -83.43 168.07 16.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 108.294 179.954 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -78.4 -23.6 46.65 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.53 1.144 . . . . 0.0 110.304 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 6.0 p30 -113.01 9.82 18.74 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.532 1.145 . . . . 0.0 109.295 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.52 ' CD1' ' HA ' ' A' ' 34' ' ' CYS . 6.3 t80 -65.88 -48.34 71.84 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 0.0 111.005 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.493 ' O ' ' CG ' ' A' ' 53' ' ' LEU . 11.0 mt -74.0 -37.33 64.44 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.493 1.121 . . . . 0.0 109.3 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -58.85 -33.1 70.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.104 . . . . 0.0 109.298 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.456 ' CD1' ' HA ' ' A' ' 22' ' ' SER . 6.1 m-85 -98.37 -30.01 12.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 111.004 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . 0.46 ' N ' ' O ' ' A' ' 48' ' ' PHE . 3.3 m -125.56 69.94 1.18 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.447 1.092 . . . . 0.0 108.308 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.493 ' CG ' ' O ' ' A' ' 49' ' ' LEU . 0.2 OUTLIER -102.82 3.13 36.36 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.449 1.093 . . . . 0.0 109.284 -179.974 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -146.37 42.99 1.2 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.125 . . . . 0.0 110.326 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.416 ' CD1' ' HB3' ' A' ' 52' ' ' CYS . 8.5 pt . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 109.316 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 14.0 m . . . . . 0 N--CA 1.453 -0.325 0 N-CA-C 109.978 -0.379 . . . . 0.0 109.978 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.605 ' SG ' ' SG ' ' A' ' 45' ' ' CYS . 51.5 m -127.19 48.85 2.15 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 0.0 108.254 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.409 ' HA ' ' CD2' ' A' ' 51' ' ' TYR . 7.1 t -74.67 -52.29 12.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 109.993 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.408 ' C ' ' CD1' ' A' ' 23' ' ' LEU . 0.2 OUTLIER -120.49 37.05 4.38 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.501 1.126 . . . . 0.0 109.316 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.1 mtt180 -121.04 -93.53 0.52 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 110.282 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 50.5 m 59.31 40.06 21.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 108.297 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 172.87 51.9 0.05 OUTLIER Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.519 1.137 . . . . 0.0 111.006 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -152.87 164.42 37.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 0.769 . . . . 0.0 109.311 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 45.5 mt-30 -126.23 126.86 44.73 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.118 . . . . 0.0 110.297 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -128.24 177.29 7.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 109.275 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -83.37 -56.24 2.72 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.506 1.129 . . . . 0.0 111.053 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 15.4 mt -57.53 -43.68 84.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 0.777 . . . . 0.0 109.329 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . 0.437 ' SG ' ' N ' ' A' ' 33' ' ' SER . 0.6 OUTLIER -148.14 -165.58 2.3 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 108.286 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.456 ' N ' ' O ' ' A' ' 43' ' ' THR . 5.9 t -157.37 137.26 12.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.542 1.151 . . . . 0.0 109.991 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 33.0 m -100.85 21.93 12.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.554 1.159 . . . . 0.0 108.334 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.525 ' CG ' ' HD2' ' A' ' 36' ' ' PRO . 0.1 OUTLIER -102.1 153.82 37.78 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 0.0 109.602 -179.956 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.525 ' HD2' ' CG ' ' A' ' 35' ' ' HIS . 18.2 Cg_endo -75.03 0.36 9.02 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.474 1.776 . . . . 0.0 110.978 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -93.97 -6.15 46.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 110.421 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . 0.52 ' SG ' ' CE2' ' A' ' 48' ' ' PHE . 9.8 p -54.69 -21.02 9.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 108.29 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -70.1 -44.5 68.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.452 1.095 . . . . 0.0 110.0 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -76.24 -33.2 49.88 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.509 1.131 . . . . 0.0 110.999 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 87.9 mt -80.98 -58.91 2.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 0.77 . . . . 0.0 109.295 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 38' ' ' CYS . . . 107.45 29.56 4.43 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.484 1.115 . . . . 0.0 111.004 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.456 ' O ' ' N ' ' A' ' 33' ' ' SER . 67.7 p -119.02 41.48 3.05 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.446 0.733 . . . . 0.0 110.443 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 25.2 m -73.39 144.29 46.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 108.291 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . 0.605 ' SG ' ' SG ' ' A' ' 21' ' ' CYS . 0.8 OUTLIER -84.74 164.08 18.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 108.299 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -73.51 -28.09 61.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 110.307 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -113.04 16.16 19.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.292 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.52 ' CE2' ' SG ' ' A' ' 38' ' ' CYS . 20.8 t80 -68.97 -48.48 63.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 111.003 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.498 ' O ' ' CG ' ' A' ' 53' ' ' LEU . 9.2 mt -74.04 -34.32 64.04 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.509 1.131 . . . . 0.0 109.285 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -58.69 -39.28 80.29 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.484 1.115 . . . . 0.0 109.242 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.409 ' CD2' ' HA ' ' A' ' 22' ' ' SER . 3.8 m-85 -97.12 -23.65 16.12 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.475 1.11 . . . . 0.0 111.031 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . 0.47 ' HB3' ' CD1' ' A' ' 55' ' ' ILE . 1.3 m -125.25 65.64 1.14 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.557 1.161 . . . . 0.0 108.294 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.498 ' CG ' ' O ' ' A' ' 49' ' ' LEU . 0.2 OUTLIER -102.31 17.51 23.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.252 -179.972 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -167.59 42.67 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.522 1.139 . . . . 0.0 110.322 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.47 ' CD1' ' HB3' ' A' ' 52' ' ' CYS . 6.0 pt . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.12 . . . . 0.0 109.288 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.8 p . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 110.003 -0.369 . . . . 0.0 110.003 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 66.3 m -124.12 57.76 1.21 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 108.297 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.553 ' HA ' ' CD2' ' A' ' 51' ' ' TYR . 23.2 t -77.53 -50.2 13.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 109.997 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -122.85 27.92 7.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 109.292 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.467 ' HD2' ' CB ' ' A' ' 27' ' ' ALA . 1.2 mtt180 -109.55 -95.58 0.41 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 110.315 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 34.2 m 59.14 38.8 23.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 108.33 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 34' ' ' CYS . . . 165.08 55.44 0.02 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.504 1.128 . . . . 0.0 111.01 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.467 ' CB ' ' HD2' ' A' ' 24' ' ' ARG . . . -151.51 167.71 27.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 0.757 . . . . 0.0 109.261 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 3.6 mt-30 -126.14 126.85 44.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.135 . . . . 0.0 110.29 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -128.63 177.43 7.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.44 1.087 . . . . 0.0 109.298 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -83.98 -51.61 3.93 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.481 1.113 . . . . 0.0 111.015 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.7 mp -62.09 -44.91 95.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 0.771 . . . . 0.0 109.306 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . 0.448 ' SG ' ' N ' ' A' ' 33' ' ' SER . 1.7 p -147.24 -159.38 1.02 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 108.322 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.448 ' N ' ' SG ' ' A' ' 32' ' ' CYS . 19.7 t -163.97 137.65 5.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.448 1.092 . . . . 0.0 110.013 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.44 ' O ' ' N ' ' A' ' 26' ' ' GLY . 36.8 m -101.2 28.62 5.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.54 1.15 . . . . 0.0 108.29 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.52 ' CG ' ' HD2' ' A' ' 36' ' ' PRO . 0.2 OUTLIER -108.06 151.15 41.2 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.13 . . . . 0.0 109.605 179.98 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.52 ' HD2' ' CG ' ' A' ' 35' ' ' HIS . 18.1 Cg_endo -75.07 -4.64 15.68 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.49 1.784 . . . . 0.0 110.944 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 38.0 p -91.89 -2.42 56.84 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 0.0 110.437 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . 0.423 ' O ' ' N ' ' A' ' 42' ' ' GLY . 28.5 p -69.78 -12.09 61.36 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 108.308 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 12.4 t -71.25 -44.2 65.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 110.014 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -76.07 -34.06 48.12 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.513 1.133 . . . . 0.0 110.969 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.3 mt -81.08 -56.44 4.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 0.762 . . . . 0.0 109.279 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.423 ' N ' ' O ' ' A' ' 38' ' ' CYS . . . 105.21 38.47 2.46 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.526 1.141 . . . . 0.0 111.004 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.439 ' O ' ' N ' ' A' ' 33' ' ' SER . 41.8 p -117.03 20.49 13.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 0.762 . . . . 0.0 110.366 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 39.5 m -63.26 146.62 53.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.106 . . . . 0.0 108.314 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -82.98 166.18 19.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 108.267 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -75.57 -28.13 58.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.139 . . . . 0.0 110.312 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -113.07 16.84 19.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 109.297 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.465 ' O ' ' N ' ' A' ' 52' ' ' CYS . 15.5 t80 -68.18 -48.12 66.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 111.026 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.479 ' O ' ' CB ' ' A' ' 53' ' ' LEU . 6.4 mt -73.63 -36.52 65.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 0.0 109.239 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -58.8 -39.33 80.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 109.32 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.553 ' CD2' ' HA ' ' A' ' 22' ' ' SER . 8.0 m-85 -93.82 -25.34 17.41 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.457 1.098 . . . . 0.0 111.017 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . 0.465 ' N ' ' O ' ' A' ' 48' ' ' PHE . 1.8 m -125.96 65.32 1.2 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.45 1.094 . . . . 0.0 108.291 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.479 ' CB ' ' O ' ' A' ' 49' ' ' LEU . 0.3 OUTLIER -99.73 30.08 3.82 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.14 . . . . 0.0 109.295 179.975 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 -174.48 39.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.453 1.096 . . . . 0.0 110.311 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.443 ' CG2' ' HB3' ' A' ' 52' ' ' CYS . 5.4 pt . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.446 1.092 . . . . 0.0 109.258 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.998 -0.371 . . . . 0.0 109.998 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.674 ' SG ' ' SG ' ' A' ' 45' ' ' CYS . 65.8 m -118.53 54.05 0.96 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.137 . . . . 0.0 108.304 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.569 ' HA ' ' CD2' ' A' ' 51' ' ' TYR . 58.3 p -55.74 -68.49 0.2 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 109.961 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.517 ' CD2' ' C ' ' A' ' 23' ' ' LEU . 0.0 OUTLIER -113.6 -13.32 12.75 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.464 1.103 . . . . 0.0 109.309 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.465 ' HD2' ' CB ' ' A' ' 27' ' ' ALA . 0.4 OUTLIER -50.03 -94.2 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.504 1.127 . . . . 0.0 110.333 -179.969 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 57.8 m 59.16 40.05 22.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.141 . . . . 0.0 108.346 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . 0.437 ' N ' ' O ' ' A' ' 34' ' ' CYS . . . 166.79 54.49 0.03 OUTLIER Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.524 1.14 . . . . 0.0 110.994 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.465 ' CB ' ' HD2' ' A' ' 24' ' ' ARG . . . -152.78 167.32 29.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 0.779 . . . . 0.0 109.334 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 53.8 mt-30 -126.37 126.9 44.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.115 . . . . 0.0 110.276 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -128.34 178.03 6.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.139 . . . . 0.0 109.341 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -84.63 -51.53 3.83 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.517 1.136 . . . . 0.0 111.041 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -63.21 -46.18 88.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.455 0.738 . . . . 0.0 109.309 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . 0.423 ' SG ' ' N ' ' A' ' 33' ' ' SER . 0.6 OUTLIER -144.05 -167.0 2.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 108.264 179.986 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.432 ' N ' ' O ' ' A' ' 43' ' ' THR . 4.9 t -156.57 136.35 12.52 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 110.007 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.437 ' O ' ' N ' ' A' ' 26' ' ' GLY . 19.9 m -104.23 21.99 15.58 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.447 1.092 . . . . 0.0 108.266 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.518 ' CG ' ' HD2' ' A' ' 36' ' ' PRO . 0.1 OUTLIER -95.64 153.16 39.49 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.115 . . . . 0.0 109.572 -179.993 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.518 ' HD2' ' CG ' ' A' ' 35' ' ' HIS . 18.3 Cg_endo -75.0 -16.11 20.37 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.472 1.775 . . . . 0.0 110.989 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 51.9 p -94.17 7.46 45.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 110.421 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 18.7 p -70.31 -18.28 63.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 108.281 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 58.6 p -71.25 -37.82 71.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.546 1.154 . . . . 0.0 110.034 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -75.73 -23.22 73.15 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.486 1.116 . . . . 0.0 111.03 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.6 mt -92.81 -51.66 4.98 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.532 0.783 . . . . 0.0 109.314 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 102.75 35.46 3.76 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.486 1.116 . . . . 0.0 110.983 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.432 ' O ' ' N ' ' A' ' 33' ' ' SER . 38.7 p -117.69 15.08 14.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 0.777 . . . . 0.0 110.341 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 59.9 m -59.16 148.57 31.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 108.284 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . 0.674 ' SG ' ' SG ' ' A' ' 21' ' ' CYS . 0.0 OUTLIER -86.46 161.85 18.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 108.26 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -73.29 -23.18 60.26 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.418 1.074 . . . . 0.0 110.276 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -112.15 15.37 20.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.125 . . . . 0.0 109.278 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.47 ' O ' ' N ' ' A' ' 52' ' ' CYS . 19.7 t80 -69.0 -48.16 63.77 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 0.0 111.05 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.478 ' O ' ' CB ' ' A' ' 53' ' ' LEU . 5.8 mt -73.82 -37.16 64.95 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.536 1.148 . . . . 0.0 109.289 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -58.81 -40.0 82.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.12 . . . . 0.0 109.321 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.569 ' CD2' ' HA ' ' A' ' 22' ' ' SER . 16.7 m-85 -92.71 -25.77 18.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.143 . . . . 0.0 110.994 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . 0.47 ' N ' ' O ' ' A' ' 48' ' ' PHE . 1.7 m -124.98 64.57 1.13 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 108.323 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.478 ' CB ' ' O ' ' A' ' 49' ' ' LEU . 0.3 OUTLIER -98.97 30.51 3.36 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.56 1.162 . . . . 0.0 109.282 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -168.94 31.61 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.448 1.093 . . . . 0.0 110.302 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.409 ' CG2' ' HB3' ' A' ' 52' ' ' CYS . 6.4 pt . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 109.331 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.004 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.1 m -167.96 156.86 9.38 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.482 0.754 . . . . 0.0 110.016 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -134.83 -58.61 0.81 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 110.007 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 55.86 -170.3 2.21 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.517 1.136 . . . . 0.0 110.963 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -135.27 -59.59 0.77 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 0.755 . . . . 0.0 109.963 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.3 t 66.83 145.98 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.479 1.112 . . . . 0.0 109.974 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 179.07 132.68 1.79 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.52 1.138 . . . . 0.0 111.032 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 2.1 pt -141.17 85.83 11.77 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.483 0.754 . . . . 0.0 109.3 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 129.46 12.41 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.502 1.791 . . . . 0.0 111.023 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -93.05 161.02 25.3 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.462 1.101 . . . . 0.0 111.006 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 177.46 8.54 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.52 1.8 . . . . 0.0 111.003 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -103.47 126.26 8.74 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.431 1.082 . . . . 0.0 110.975 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 32.0 m-85 -81.37 -56.54 3.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.556 0.797 . . . . 0.0 111.004 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 16.2 m 60.29 93.57 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 0.0 110.36 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -91.76 -63.61 1.23 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 109.306 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 118.37 -161.56 13.51 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.503 1.127 . . . . 0.0 110.976 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -54.12 113.15 1.14 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.447 0.734 . . . . 0.0 109.252 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 3.1 mm-40 -157.17 174.26 15.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 110.319 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 106.17 71.47 0.79 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.524 1.14 . . . . 0.0 111.011 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 6.4 p -125.43 150.96 46.82 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 0.76 . . . . 0.0 110.012 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.809 ' SG ' ' SG ' ' A' ' 45' ' ' CYS . 69.5 m -125.56 53.05 1.58 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.431 1.082 . . . . 0.0 108.311 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 17.0 p -83.63 -47.38 11.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 110.003 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -120.95 29.75 7.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 109.327 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.464 ' HD2' ' CB ' ' A' ' 27' ' ' ALA . 1.0 OUTLIER -114.71 -93.37 0.49 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.455 1.097 . . . . 0.0 110.277 -179.962 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 35.2 m 59.5 40.11 20.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 108.308 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 166.75 55.38 0.03 OUTLIER Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.489 1.118 . . . . 0.0 110.991 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.464 ' CB ' ' HD2' ' A' ' 24' ' ' ARG . . . -154.4 164.06 39.21 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.515 0.774 . . . . 0.0 109.335 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.4 HE21 ' CG ' ' A' ' 35' ' ' HIS . 83.8 mt-30 -126.28 127.01 44.93 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.481 1.113 . . . . 0.0 110.345 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 17.9 t0 -128.09 177.82 6.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.142 . . . . 0.0 109.308 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -82.93 -51.45 4.22 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.577 1.173 . . . . 0.0 110.962 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 20.5 mt -62.46 -45.79 91.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 0.768 . . . . 0.0 109.306 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.428 ' SG ' ' N ' ' A' ' 33' ' ' SER . 0.8 OUTLIER -146.02 -164.29 1.93 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.545 1.153 . . . . 0.0 108.331 180.0 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.439 ' N ' ' O ' ' A' ' 43' ' ' THR . 15.2 t -159.7 137.55 10.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.437 1.086 . . . . 0.0 110.014 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.466 ' HA ' ' CD1' ' A' ' 48' ' ' PHE . 19.5 m -102.33 22.85 12.66 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 108.254 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.519 ' CG ' ' HD2' ' A' ' 36' ' ' PRO . 0.1 OUTLIER -101.18 153.41 37.8 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 109.634 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.519 ' HD2' ' CG ' ' A' ' 35' ' ' HIS . 18.3 Cg_endo -74.94 -7.13 18.93 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.505 1.792 . . . . 0.0 111.029 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 72.5 p -87.55 -11.43 48.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 110.436 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . 0.444 ' O ' ' N ' ' A' ' 42' ' ' GLY . 15.5 p -57.48 -19.49 24.75 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.113 . . . . 0.0 108.31 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -69.67 -39.9 76.75 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.491 1.12 . . . . 0.0 110.025 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -75.94 -33.24 51.12 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.484 1.115 . . . . 0.0 111.048 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.2 mt -84.89 -65.79 0.97 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 0.756 . . . . 0.0 109.312 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 38' ' ' CYS . . . 116.8 40.8 0.75 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.527 1.142 . . . . 0.0 111.02 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.439 ' O ' ' N ' ' A' ' 33' ' ' SER . 81.8 p -122.7 26.37 8.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 0.766 . . . . 0.0 110.398 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 21.9 m -64.99 144.21 57.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.15 . . . . 0.0 108.269 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . 0.809 ' SG ' ' SG ' ' A' ' 21' ' ' CYS . 0.8 OUTLIER -79.74 161.5 25.71 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.48 1.112 . . . . 0.0 108.273 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.97 -27.29 63.62 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.544 1.152 . . . . 0.0 110.289 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -113.11 14.98 19.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 109.285 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.466 ' CD1' ' HA ' ' A' ' 34' ' ' CYS . 17.0 t80 -68.99 -48.12 63.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.125 . . . . 0.0 111.046 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.498 ' O ' ' CB ' ' A' ' 53' ' ' LEU . 7.8 mt -73.51 -36.06 65.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 109.331 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -58.77 -40.16 83.14 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.516 1.135 . . . . 0.0 109.315 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -95.11 -19.57 20.01 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 110.955 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . 0.449 ' N ' ' O ' ' A' ' 48' ' ' PHE . 1.5 m -130.75 63.63 1.58 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 108.309 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.498 ' CB ' ' O ' ' A' ' 49' ' ' LEU . 0.2 OUTLIER -99.85 14.85 28.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.555 1.159 . . . . 0.0 109.287 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -162.05 42.74 0.14 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.504 1.127 . . . . 0.0 110.306 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 6.7 pt -110.37 -24.55 3.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.498 1.124 . . . . 0.0 109.279 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.5 mp -58.11 155.84 23.31 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 109.34 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 168.97 23.64 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.518 1.799 . . . . 0.0 111.005 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -46.49 138.3 5.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.561 1.163 . . . . 0.0 109.965 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 37.5 t -114.63 86.77 2.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.563 1.165 . . . . 0.0 109.968 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -49.57 177.18 0.03 OUTLIER Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.483 1.114 . . . . 0.0 110.985 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -144.35 145.63 32.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 0.752 . . . . 0.0 110.013 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 2.1 ttm 59.23 117.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 110.99 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 5.1 mtp -141.41 -54.23 0.46 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 0.0 111.012 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -124.87 -101.76 1.37 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.476 1.11 . . . . 0.0 110.993 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 123.89 125.05 2.95 Favored Glycine 0 CA--C 1.531 1.057 0 N-CA-C 110.979 -0.849 . . . . 0.0 110.979 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -154.84 145.7 22.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.537 0.786 . . . . 0.0 109.348 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -139.29 167.13 22.76 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 109.322 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 24.7 t80 -147.27 158.64 44.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.415 1.072 . . . . 0.0 110.953 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 10.3 p -167.3 139.26 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.545 1.153 . . . . 0.0 109.306 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 9.1 p -170.26 145.94 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.14 . . . . 0.0 109.306 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 6.5 tt0 -174.14 122.32 0.3 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.487 1.117 . . . . 0.0 110.293 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 68.2 t60 -163.24 147.96 11.2 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.132 . . . . 0.0 109.601 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 3.1 tt -169.82 130.01 1.0 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 109.335 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 28.4 tttt -170.16 143.35 2.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.135 . . . . 0.0 109.291 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . 2.3 p-90 -175.02 116.32 0.16 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.522 1.139 . . . . 0.0 107.98 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -147.34 134.61 20.61 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.538 1.149 . . . . 0.0 110.429 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 26.2 t70 176.81 99.83 0.11 Allowed Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.482 1.114 . . . . 0.0 109.302 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -179.0 4.56 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.5 1.79 . . . . 0.0 111.049 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -150.1 170.5 18.75 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.457 1.098 . . . . 0.0 110.002 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -156.77 92.64 0.13 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.496 1.122 . . . . 0.0 110.982 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 178.4 7.29 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.53 1.805 . . . . 0.0 110.993 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -164.5 176.3 9.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.963 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 1.4 t -151.36 166.94 29.46 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.108 . . . . 0.0 110.046 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.991 0 O-C-N 124.468 1.105 . . . . 0.0 110.976 -179.97 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.994 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 179.17 170.58 0.94 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 0.77 . . . . 0.0 109.959 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 69.5 m -132.12 171.86 13.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 109.976 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -140.15 177.7 20.42 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.42 1.075 . . . . 0.0 111.011 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -154.71 168.84 25.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 0.782 . . . . 0.0 110.014 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -111.07 168.33 9.58 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.462 1.101 . . . . 0.0 109.986 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 138.11 -159.05 25.02 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.495 1.122 . . . . 0.0 111.032 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 42.5 mt 63.81 89.85 0.1 OUTLIER Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.466 0.745 . . . . 0.0 109.273 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -45.95 0.26 Allowed 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.429 1.752 . . . . 0.0 111.026 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 106.55 162.07 22.37 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.538 1.149 . . . . 0.0 111.02 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -167.42 0.42 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.501 1.79 . . . . 0.0 110.96 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -103.71 81.94 0.37 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.511 1.132 . . . . 0.0 110.981 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -174.22 148.92 1.35 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.559 0.799 . . . . 0.0 111.017 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 3.1 m -143.06 -62.88 0.41 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 110.417 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . 41.24 66.2 0.71 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 109.318 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -124.34 -57.43 0.18 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.468 1.105 . . . . 0.0 110.992 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . 61.11 74.1 0.46 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 0.756 . . . . 0.0 109.297 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 6.1 pt20 -114.27 -176.21 2.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 110.332 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 116.47 54.43 0.33 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.488 1.117 . . . . 0.0 111.023 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 39.5 m -128.07 150.94 49.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 0.77 . . . . 0.0 109.983 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.798 ' SG ' ' SG ' ' A' ' 45' ' ' CYS . 46.0 m -124.47 57.09 1.26 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.548 1.155 . . . . 0.0 108.294 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 13.4 m -85.72 -47.52 9.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 109.986 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -120.58 25.84 9.51 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.506 1.129 . . . . 0.0 109.291 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.454 ' HD2' ' CB ' ' A' ' 27' ' ' ALA . 1.5 mtt180 -108.9 -92.19 0.43 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.446 1.091 . . . . 0.0 110.341 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 65.6 m 59.61 40.11 20.54 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.113 . . . . 0.0 108.32 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 168.61 55.19 0.03 OUTLIER Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.547 1.155 . . . . 0.0 110.973 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.454 ' CB ' ' HD2' ' A' ' 24' ' ' ARG . . . -156.36 164.4 38.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 0.768 . . . . 0.0 109.265 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -126.29 127.01 44.92 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.112 . . . . 0.0 110.317 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -128.17 174.99 8.78 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 109.321 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -79.8 -56.55 3.29 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.466 1.104 . . . . 0.0 110.986 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -57.68 -43.46 85.09 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.488 0.758 . . . . 0.0 109.307 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.415 ' SG ' ' N ' ' A' ' 33' ' ' SER . 0.8 OUTLIER -149.05 -165.3 2.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.113 . . . . 0.0 108.295 -179.96 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.436 ' N ' ' O ' ' A' ' 43' ' ' THR . 22.2 t -158.32 138.22 12.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.14 . . . . 0.0 110.01 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.438 ' N ' ' O ' ' A' ' 27' ' ' ALA . 12.1 m -101.55 23.51 11.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.097 . . . . 0.0 108.315 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.519 ' CG ' ' HD2' ' A' ' 36' ' ' PRO . 0.1 OUTLIER -100.83 152.09 37.76 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.112 . . . . 0.0 109.546 -179.952 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.519 ' HD2' ' CG ' ' A' ' 35' ' ' HIS . 18.2 Cg_endo -75.07 -5.65 17.03 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.469 1.773 . . . . 0.0 110.995 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 41.9 p -92.7 -6.9 48.21 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.13 . . . . 0.0 110.386 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . 0.439 ' O ' ' N ' ' A' ' 42' ' ' GLY . 18.5 p -62.29 -17.6 59.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 108.277 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 59.6 p -70.64 -40.82 72.84 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 109.982 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -76.07 -33.87 48.67 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.494 1.121 . . . . 0.0 110.958 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.1 mt -81.95 -57.93 3.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 0.76 . . . . 0.0 109.33 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.439 ' N ' ' O ' ' A' ' 38' ' ' CYS . . . 109.89 34.92 2.28 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.529 1.143 . . . . 0.0 111.02 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.436 ' O ' ' N ' ' A' ' 33' ' ' SER . 62.5 p -116.63 24.17 11.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 0.745 . . . . 0.0 110.402 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 52.2 m -65.99 147.17 53.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 108.3 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . 0.798 ' SG ' ' SG ' ' A' ' 21' ' ' CYS . 0.1 OUTLIER -84.46 163.71 19.28 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.468 1.105 . . . . 0.0 108.268 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -75.06 -25.41 58.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 110.299 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -113.01 17.35 18.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 109.327 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.455 ' O ' ' N ' ' A' ' 52' ' ' CYS . 20.2 t80 -69.04 -48.16 63.59 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.469 1.106 . . . . 0.0 110.998 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.453 ' O ' ' CG ' ' A' ' 53' ' ' LEU . 5.3 mt -73.61 -30.97 63.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.552 1.157 . . . . 0.0 109.295 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -58.69 -38.55 78.48 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.538 1.149 . . . . 0.0 109.284 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.488 ' CB ' ' O ' ' A' ' 21' ' ' CYS . 26.8 m-85 -100.89 -22.64 14.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 110.985 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . 0.455 ' N ' ' O ' ' A' ' 48' ' ' PHE . 1.8 m -122.57 65.36 0.95 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 108.285 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.453 ' CG ' ' O ' ' A' ' 49' ' ' LEU . 0.3 OUTLIER -104.18 30.53 5.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 0.0 109.323 179.971 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -175.15 37.04 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.464 1.102 . . . . 0.0 110.302 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 6.5 pt -110.29 -25.49 3.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 109.284 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.8 mt -52.83 154.83 4.58 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.527 1.142 . . . . 0.0 109.321 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 173.36 14.64 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.53 1.805 . . . . 0.0 110.978 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 20.9 p -61.78 146.17 50.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 0.0 110.0 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 32.2 t -83.57 133.25 34.87 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.453 1.096 . . . . 0.0 110.0 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -119.41 148.95 18.11 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.504 1.128 . . . . 0.0 111.006 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 56.3 85.17 0.08 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 0.758 . . . . 0.0 109.965 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' MET . . . . . 0.404 ' O ' ' N ' ' A' ' 64' ' ' GLY . 0.0 OUTLIER -81.66 125.75 30.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 110.97 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 67.0 -71.4 0.1 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.46 1.1 . . . . 0.0 110.99 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . 0.404 ' N ' ' O ' ' A' ' 62' ' ' MET . . . 137.82 145.43 4.88 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.478 1.111 . . . . 0.0 110.989 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -62.42 138.08 45.19 Favored Glycine 0 CA--C 1.531 1.053 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 2.6 pttt -122.11 145.02 48.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 0.777 . . . . 0.0 109.313 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -115.38 115.66 26.96 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.121 . . . . 0.0 109.348 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 54.0 p90 -69.5 143.55 53.45 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 110.982 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 9.8 p -75.87 144.47 11.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 0.0 109.309 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 8.1 p -136.73 158.97 37.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.124 . . . . 0.0 109.301 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -110.86 165.97 11.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 110.342 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 2.2 t-80 -148.25 173.54 12.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 109.6 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 1.7 pp -156.51 144.65 19.63 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 1.9 tttt -176.75 159.79 1.84 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.444 1.09 . . . . 0.0 109.311 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -126.0 156.7 39.45 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 0.0 108.025 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 53.6 m -141.66 143.64 33.72 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 110.386 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -124.84 145.87 51.29 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.532 1.145 . . . . 0.0 109.265 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 179.92 5.61 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.453 1.765 . . . . 0.0 110.998 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 28.8 p -157.29 168.79 26.34 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.48 1.113 . . . . 0.0 109.975 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 160.94 97.24 0.12 Allowed Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.437 1.085 . . . . 0.0 111.001 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -54.51 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.447 1.762 . . . . 0.0 111.011 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 89.9 p 179.49 166.86 1.11 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.102 . . . . 0.0 110.011 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 12.8 t -111.86 -57.28 2.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 110.015 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.052 0 O-C-N 124.472 1.107 . . . . 0.0 110.978 -179.995 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.969 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -160.37 -58.76 0.06 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 0.745 . . . . 0.0 109.99 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.1 m 58.57 169.18 0.06 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.491 1.119 . . . . 0.0 110.022 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -111.13 175.71 17.95 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.476 1.11 . . . . 0.0 111.006 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.3 t -176.29 156.11 1.57 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.5 0.765 . . . . 0.0 110.034 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.8 m 62.93 155.96 0.05 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.534 1.146 . . . . 0.0 109.996 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -121.43 -135.86 4.88 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.499 1.124 . . . . 0.0 110.985 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 1.3 tt -162.19 87.26 1.48 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.509 0.77 . . . . 0.0 109.29 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 175.97 10.55 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.502 1.791 . . . . 0.0 110.983 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -174.1 75.7 0.08 OUTLIER Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.464 1.102 . . . . 0.0 111.019 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 161.81 38.23 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.498 1.788 . . . . 0.0 110.976 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -179.38 79.81 0.06 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.478 1.111 . . . . 0.0 111.017 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -172.0 133.26 0.71 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 0.773 . . . . 0.0 111.02 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.442 ' O ' ' CG2' ' A' ' 14' ' ' THR . 6.5 t -157.19 112.48 2.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 110.392 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -137.76 146.71 43.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.102 . . . . 0.0 109.257 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 109.55 -118.73 5.26 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.492 1.12 . . . . 0.0 110.98 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.76 115.47 7.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 0.773 . . . . 0.0 109.299 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -88.49 -71.79 0.57 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.514 1.134 . . . . 0.0 110.327 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -113.43 47.96 0.99 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.497 1.123 . . . . 0.0 110.998 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 34.5 m -122.73 150.97 42.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 0.745 . . . . 0.0 110.029 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.79 ' SG ' ' SG ' ' A' ' 45' ' ' CYS . 64.5 m -124.01 57.12 1.22 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 108.342 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 41.5 p -65.31 -63.75 1.03 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 110.011 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.6 pp -110.89 -21.54 11.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 109.306 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.473 ' HD2' ' CB ' ' A' ' 27' ' ' ALA . 0.3 OUTLIER -44.53 -94.12 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 110.324 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 41.0 m 59.34 37.94 23.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 108.295 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.439 ' N ' ' O ' ' A' ' 34' ' ' CYS . . . 168.03 56.18 0.03 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.552 1.157 . . . . 0.0 111.004 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.473 ' CB ' ' HD2' ' A' ' 24' ' ' ARG . . . -154.09 169.02 24.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 0.751 . . . . 0.0 109.268 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 18.5 mt-30 -126.15 127.23 45.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.153 . . . . 0.0 110.305 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -128.11 173.1 10.37 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 109.3 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -82.04 -52.52 4.03 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.439 1.087 . . . . 0.0 110.996 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 5.1 mt -63.8 -39.15 93.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.555 0.797 . . . . 0.0 109.291 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.425 ' SG ' ' N ' ' A' ' 33' ' ' SER . 0.8 OUTLIER -150.31 -164.62 2.06 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.464 1.103 . . . . 0.0 108.324 179.973 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.442 ' N ' ' O ' ' A' ' 43' ' ' THR . 11.0 t -160.42 137.23 9.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 110.045 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.439 ' O ' ' N ' ' A' ' 26' ' ' GLY . 13.3 m -102.14 31.27 4.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 108.322 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.522 ' CG ' ' HD2' ' A' ' 36' ' ' PRO . 0.2 OUTLIER -112.24 151.99 44.11 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 109.58 -179.964 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.522 ' HD2' ' CG ' ' A' ' 35' ' ' HIS . 18.3 Cg_endo -74.99 -2.5 12.62 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.514 1.797 . . . . 0.0 111.012 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 78.8 p -90.52 -7.86 51.84 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.551 1.157 . . . . 0.0 110.356 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . 0.451 ' O ' ' N ' ' A' ' 42' ' ' GLY . 20.1 p -64.14 -18.32 64.33 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.528 1.143 . . . . 0.0 108.265 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.3 -43.17 78.23 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.118 . . . . 0.0 109.99 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -76.08 -33.97 48.38 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.541 1.151 . . . . 0.0 110.963 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.2 mt -82.81 -68.08 0.73 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.458 0.74 . . . . 0.0 109.279 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.451 ' N ' ' O ' ' A' ' 38' ' ' CYS . . . 118.98 41.77 0.58 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.536 1.148 . . . . 0.0 110.984 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.442 ' O ' ' N ' ' A' ' 33' ' ' SER . 82.8 p -121.98 23.29 10.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.448 0.734 . . . . 0.0 110.387 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 27.4 m -63.28 144.68 56.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.106 . . . . 0.0 108.312 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . 0.79 ' SG ' ' SG ' ' A' ' 21' ' ' CYS . 0.8 OUTLIER -82.94 160.59 22.04 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.556 1.16 . . . . 0.0 108.291 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -71.17 -26.51 63.01 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.534 1.146 . . . . 0.0 110.297 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -113.1 15.29 19.55 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 109.305 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.458 ' O ' ' N ' ' A' ' 52' ' ' CYS . 16.4 t80 -69.0 -48.02 64.09 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 110.998 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.493 ' O ' ' CB ' ' A' ' 53' ' ' LEU . 9.0 mt -73.51 -35.85 65.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 109.265 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -58.81 -40.73 84.97 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.469 1.106 . . . . 0.0 109.308 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -93.85 -22.3 18.73 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.496 1.122 . . . . 0.0 111.026 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . 0.462 ' HB3' ' CG2' ' A' ' 55' ' ' ILE . 1.7 m -128.67 64.21 1.44 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 108.32 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.493 ' CB ' ' O ' ' A' ' 49' ' ' LEU . 0.3 OUTLIER -97.85 13.93 28.86 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.544 1.153 . . . . 0.0 109.241 -179.943 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -157.91 40.67 0.28 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.541 1.151 . . . . 0.0 110.249 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.462 ' CG2' ' HB3' ' A' ' 52' ' ' CYS . 6.4 pt -110.89 -28.27 2.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.151 . . . . 0.0 109.305 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.1 mp -55.45 155.03 10.69 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.429 1.081 . . . . 0.0 109.278 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -46.83 0.22 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.484 1.781 . . . . 0.0 111.011 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 84.0 p -177.23 154.04 1.01 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.498 1.124 . . . . 0.0 110.004 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 54.3 p -73.2 97.54 2.44 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.54 1.15 . . . . 0.0 110.01 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -74.04 103.58 1.5 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.507 1.129 . . . . 0.0 110.998 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -139.24 92.33 2.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 0.776 . . . . 0.0 109.982 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -71.07 -56.5 6.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 111.008 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 4.0 mtt 46.52 93.13 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.46 1.1 . . . . 0.0 110.997 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -77.37 -145.29 2.16 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.498 1.124 . . . . 0.0 110.995 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 106.91 135.43 7.91 Favored Glycine 0 CA--C 1.53 0.992 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 2.0 mtmt -89.33 148.58 23.45 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.461 0.742 . . . . 0.0 109.242 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -109.82 140.47 43.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.1 . . . . 0.0 109.309 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -86.83 145.22 26.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 111.032 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 71.3 t -98.57 -67.08 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.543 1.152 . . . . 0.0 109.263 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 12.3 m 44.26 -163.98 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 109.325 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 177.39 166.33 0.61 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 110.303 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 4.8 p-80 -146.9 159.46 43.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.125 . . . . 0.0 109.584 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -133.58 176.66 8.34 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.534 1.146 . . . . 0.0 109.287 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.45 175.58 13.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 109.274 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . 15.2 t-105 -147.73 154.81 41.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.122 . . . . 0.0 108.031 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 68.5 p -139.92 176.67 8.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 110.408 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -146.18 124.57 6.36 Favored Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.505 1.128 . . . . 0.0 109.297 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 178.39 7.34 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.475 1.777 . . . . 0.0 111.004 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 59.9 m -134.98 167.74 20.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 110.023 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -156.23 96.36 0.16 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.511 1.132 . . . . 0.0 111.0 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 177.57 8.43 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.511 1.795 . . . . 0.0 111.002 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 24.0 t -142.62 179.04 7.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.123 . . . . 0.0 110.045 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 27.4 p -133.72 173.86 11.06 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 0.0 110.043 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.979 0 O-C-N 124.496 1.122 . . . . 0.0 111.031 179.976 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 59.4 p 43.65 89.09 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.539 0.787 . . . . 0.0 109.964 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 t -177.49 163.42 1.96 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 109.982 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -115.4 53.79 0.6 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.46 1.1 . . . . 0.0 111.0 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.0 t -173.66 118.97 0.28 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 0.766 . . . . 0.0 110.031 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 74.9 p -85.32 81.56 8.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.122 . . . . 0.0 110.014 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 50.76 177.37 0.02 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.473 1.108 . . . . 0.0 110.976 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 3.1 tt 41.65 65.81 4.38 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.495 0.762 . . . . 0.0 109.331 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.93 69.64 5.44 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.524 1.802 . . . . 0.0 110.993 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.48 156.05 7.69 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.541 1.151 . . . . 0.0 111.028 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 158.6 41.99 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.545 1.813 . . . . 0.0 111.019 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -76.54 101.76 1.55 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.487 1.117 . . . . 0.0 111.003 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 8.3 t80 -145.84 117.63 8.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.447 0.733 . . . . 0.0 110.992 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 6.5 m -139.1 91.6 2.53 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.564 1.165 . . . . 0.0 110.443 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -143.4 142.54 31.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.241 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -118.21 -80.33 0.72 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.465 1.103 . . . . 0.0 111.027 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -128.09 119.49 25.47 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.499 0.764 . . . . 0.0 109.296 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 9.1 mp0 -115.56 167.6 10.75 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 110.333 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 118.6 57.89 0.27 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.509 1.131 . . . . 0.0 111.014 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 5.8 p -123.68 150.91 43.7 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 0.77 . . . . 0.0 109.997 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.714 ' SG ' ' SG ' ' A' ' 45' ' ' CYS . 66.1 m -127.02 48.85 2.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 0.0 108.314 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -75.79 -53.85 7.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.14 . . . . 0.0 109.992 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.411 ' CD2' ' C ' ' A' ' 23' ' ' LEU . 0.0 OUTLIER -117.93 36.28 4.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.554 1.159 . . . . 0.0 109.322 179.975 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.469 ' HD2' ' CB ' ' A' ' 27' ' ' ALA . 0.3 OUTLIER -120.45 -93.68 0.51 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.14 . . . . 0.0 110.274 -179.951 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 51.7 m 59.87 40.04 19.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 108.328 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 166.87 55.44 0.03 OUTLIER Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.487 1.117 . . . . 0.0 111.002 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.469 ' CB ' ' HD2' ' A' ' 24' ' ' ARG . . . -153.63 165.83 34.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 0.758 . . . . 0.0 109.31 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 75.9 mt-30 -126.22 127.02 45.0 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.455 1.097 . . . . 0.0 110.304 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.491 ' CB ' ' O ' ' A' ' 32' ' ' CYS . 0.1 OUTLIER -128.39 177.61 6.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 0.0 109.272 -179.968 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -83.22 -52.28 3.85 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.486 1.116 . . . . 0.0 111.021 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 21.2 mt -63.99 -44.69 91.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 0.775 . . . . 0.0 109.338 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.491 ' O ' ' CB ' ' A' ' 29' ' ' ASP . 0.8 OUTLIER -149.38 -179.77 7.32 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 108.285 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.428 ' N ' ' O ' ' A' ' 43' ' ' THR . 23.0 t -144.66 140.76 28.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.432 1.082 . . . . 0.0 110.005 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.409 ' N ' ' O ' ' A' ' 27' ' ' ALA . 22.2 m -104.33 21.62 16.3 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.559 1.162 . . . . 0.0 108.288 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.523 ' CG ' ' HD2' ' A' ' 36' ' ' PRO . 0.2 OUTLIER -98.66 151.5 37.47 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 0.0 109.577 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.523 ' HD2' ' CG ' ' A' ' 35' ' ' HIS . 18.4 Cg_endo -74.95 -2.22 12.24 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.459 1.768 . . . . 0.0 111.04 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 31.7 p -94.48 -8.5 38.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 110.447 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . 0.44 ' O ' ' N ' ' A' ' 42' ' ' GLY . 19.6 p -61.85 -21.52 64.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.115 . . . . 0.0 108.296 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 20.7 t -66.71 -42.06 86.99 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.518 1.136 . . . . 0.0 109.957 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -75.74 -30.32 58.07 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.49 1.119 . . . . 0.0 111.0 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.1 mt -84.35 -68.5 0.71 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 0.757 . . . . 0.0 109.303 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 38' ' ' CYS . . . 120.4 40.03 0.6 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.548 1.155 . . . . 0.0 110.948 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.428 ' O ' ' N ' ' A' ' 33' ' ' SER . 30.8 p -124.74 24.1 7.81 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 0.767 . . . . 0.0 110.399 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 32.2 m -65.44 145.61 55.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 108.271 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . 0.714 ' SG ' ' SG ' ' A' ' 21' ' ' CYS . 0.8 OUTLIER -79.54 160.37 26.51 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.556 1.16 . . . . 0.0 108.327 179.947 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -70.7 -26.28 63.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.148 . . . . 0.0 110.298 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 28.1 p30 -113.39 18.85 17.45 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.454 1.096 . . . . 0.0 109.315 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.455 ' O ' ' N ' ' A' ' 52' ' ' CYS . 13.0 t80 -69.33 -48.21 62.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 111.003 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.454 ' O ' ' CB ' ' A' ' 53' ' ' LEU . 5.9 mt -73.66 -35.07 65.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 109.287 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -58.58 -38.96 79.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 109.307 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -97.02 -20.75 17.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.457 1.098 . . . . 0.0 110.982 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . 0.455 ' N ' ' O ' ' A' ' 48' ' ' PHE . 1.9 m -127.58 64.13 1.35 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 108.298 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.454 ' CB ' ' O ' ' A' ' 49' ' ' LEU . 0.3 OUTLIER -101.81 31.09 4.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 109.268 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -176.2 37.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 110.294 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 6.8 pt -110.53 -24.64 3.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.454 1.096 . . . . 0.0 109.309 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.3 mt -49.65 154.78 1.58 Allowed Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.526 1.141 . . . . 0.0 109.321 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -55.32 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.497 1.788 . . . . 0.0 110.976 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 4.7 t -176.78 162.01 2.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.125 . . . . 0.0 110.007 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -108.61 81.38 1.45 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 0.0 109.997 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -85.58 -172.91 49.32 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.449 1.093 . . . . 0.0 110.995 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 50.8 m -82.96 173.62 11.63 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.497 0.763 . . . . 0.0 110.021 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 3.7 ptt? -119.03 -36.52 3.39 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 110.944 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 5.6 ttt -152.57 -56.46 0.13 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.139 . . . . 0.0 111.018 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 89.05 -105.59 3.21 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.517 1.135 . . . . 0.0 110.998 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -175.79 -105.51 0.19 Allowed Glycine 0 CA--C 1.53 1.01 0 N-CA-C 110.986 -0.845 . . . . 0.0 110.986 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -128.67 167.6 16.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 0.764 . . . . 0.0 109.303 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -106.49 -58.6 1.9 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.443 1.089 . . . . 0.0 109.286 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -170.9 166.41 7.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.117 . . . . 0.0 110.995 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 63.2 t 63.33 144.53 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.506 1.129 . . . . 0.0 109.32 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 82.6 t -130.51 134.56 62.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.31 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -59.24 170.89 0.84 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.466 1.104 . . . . 0.0 110.281 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 80.5 t60 -78.5 170.9 15.9 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.11 . . . . 0.0 109.64 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -103.95 177.86 4.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.449 1.093 . . . . 0.0 109.278 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -126.41 147.79 49.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.323 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -51.75 148.61 5.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 107.999 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 2.2 m 59.17 114.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 110.403 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -117.02 122.0 31.86 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.314 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 165.83 30.41 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.493 1.786 . . . . 0.0 110.97 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -169.32 160.73 9.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 109.991 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 160.28 97.27 0.12 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.526 1.141 . . . . 0.0 111.025 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -53.41 0.1 OUTLIER 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.525 1.803 . . . . 0.0 110.943 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 1.3 m 59.41 157.13 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.143 . . . . 0.0 110.005 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -155.87 -58.61 0.1 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.445 1.091 . . . . 0.0 110.001 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.975 0 O-C-N 124.477 1.111 . . . . 0.0 110.996 -179.979 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.021 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 83.3 p -166.21 149.05 7.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 0.768 . . . . 0.0 109.992 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 88.5 p -153.88 170.18 21.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 109.95 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -121.06 -59.64 0.23 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.467 1.105 . . . . 0.0 110.98 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 62.93 171.18 0.15 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.453 0.737 . . . . 0.0 110.028 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -158.63 142.9 15.71 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 0.0 110.008 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -101.99 168.49 19.18 Favored Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.513 1.133 . . . . 0.0 111.055 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -129.59 154.87 80.93 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.476 0.751 . . . . 0.0 109.328 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 -179.83 5.37 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.462 1.77 . . . . 0.0 111.058 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -152.3 87.45 0.14 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.5 1.125 . . . . 0.0 111.011 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 168.01 25.78 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.463 1.77 . . . . 0.0 110.999 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -149.84 -109.27 0.48 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.467 1.105 . . . . 0.0 110.978 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 93.6 m-85 -128.39 -56.02 1.24 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.466 0.745 . . . . 0.0 111.037 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 18.9 m 54.64 94.32 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.464 1.103 . . . . 0.0 110.396 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -101.57 142.04 33.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.279 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -98.17 88.69 0.91 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.523 1.139 . . . . 0.0 111.003 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -172.44 87.6 0.08 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 0.748 . . . . 0.0 109.307 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -177.38 162.41 1.89 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.111 . . . . 0.0 110.279 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 142.46 64.28 0.03 OUTLIER Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.45 1.094 . . . . 0.0 111.006 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 9.2 p -128.14 150.98 49.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 0.786 . . . . 0.0 110.034 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.776 ' SG ' ' SG ' ' A' ' 45' ' ' CYS . 62.9 m -126.7 50.39 1.95 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.108 . . . . 0.0 108.302 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 4.1 m -80.71 -50.67 9.6 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.994 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -114.71 34.07 5.0 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.536 1.147 . . . . 0.0 109.315 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.467 ' HD2' ' CB ' ' A' ' 27' ' ' ALA . 0.6 OUTLIER -121.79 -93.43 0.52 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 110.332 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 59.9 m 59.37 40.26 21.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 108.286 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 167.32 54.86 0.03 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.54 1.15 . . . . 0.0 110.965 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.467 ' CB ' ' HD2' ' A' ' 24' ' ' ARG . . . -154.22 166.25 33.73 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.488 0.758 . . . . 0.0 109.312 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.488 ' NE2' ' ND1' ' A' ' 35' ' ' HIS . 3.1 mm-40 -126.17 127.02 45.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.575 1.172 . . . . 0.0 110.255 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -128.22 177.69 6.76 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.515 1.134 . . . . 0.0 109.297 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -83.96 -56.65 2.55 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.489 1.118 . . . . 0.0 110.99 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 6.6 mt -58.89 -45.37 90.39 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 0.753 . . . . 0.0 109.315 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -145.48 -170.11 3.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.11 . . . . 0.0 108.268 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.446 ' N ' ' O ' ' A' ' 43' ' ' THR . 7.1 t -153.74 138.22 16.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 0.0 110.028 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 11.7 m -102.3 20.62 16.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 0.0 108.326 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.523 ' CG ' ' HD2' ' A' ' 36' ' ' PRO . 0.1 OUTLIER -95.39 151.63 38.77 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.466 1.104 . . . . 0.0 109.596 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.523 ' HD2' ' CG ' ' A' ' 35' ' ' HIS . 18.5 Cg_endo -74.94 0.15 9.22 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.487 1.783 . . . . 0.0 111.031 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -96.61 -9.0 30.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 110.366 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . 0.442 ' O ' ' N ' ' A' ' 42' ' ' GLY . 12.9 p -52.72 -22.47 5.26 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 108.291 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.36 -44.59 67.79 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 110.035 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -76.22 -33.73 48.35 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.493 1.121 . . . . 0.0 111.015 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 67.9 mt -81.05 -59.56 2.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 0.742 . . . . 0.0 109.275 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.442 ' N ' ' O ' ' A' ' 38' ' ' CYS . . . 112.65 27.94 3.64 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.504 1.128 . . . . 0.0 111.052 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.446 ' O ' ' N ' ' A' ' 33' ' ' SER . 47.2 p -116.86 44.54 2.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 0.758 . . . . 0.0 110.396 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 39.5 m -79.62 146.64 32.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 108.269 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . 0.776 ' SG ' ' SG ' ' A' ' 21' ' ' CYS . 1.3 m -86.18 163.27 17.91 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.545 1.153 . . . . 0.0 108.297 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -74.59 -28.07 60.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.113 . . . . 0.0 110.314 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -113.13 18.08 18.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 109.282 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.455 ' O ' ' N ' ' A' ' 52' ' ' CYS . 22.7 t80 -69.05 -48.42 62.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 110.978 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.45 ' O ' ' CB ' ' A' ' 53' ' ' LEU . 4.9 mt -73.76 -31.81 63.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.142 . . . . 0.0 109.292 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -58.74 -39.48 81.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.304 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 22.2 m-85 -99.31 -21.96 15.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 110.984 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . 0.455 ' N ' ' O ' ' A' ' 48' ' ' PHE . 1.7 m -124.02 64.94 1.05 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 108.283 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.45 ' CB ' ' O ' ' A' ' 49' ' ' LEU . 0.3 OUTLIER -102.56 29.38 5.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 109.298 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -174.65 38.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 0.0 110.291 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.415 ' CD1' ' HB3' ' A' ' 52' ' ' CYS . 9.5 pt -110.78 -28.3 2.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 109.262 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 6.3 mt -49.82 156.06 1.34 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.474 1.109 . . . . 0.0 109.29 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -54.96 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.474 1.776 . . . . 0.0 110.996 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 179.05 171.61 0.86 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 110.024 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 93.5 p -146.16 94.37 2.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 109.98 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 118.76 -53.56 0.66 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.487 1.117 . . . . 0.0 110.996 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -42.74 143.42 0.7 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.52 0.776 . . . . 0.0 110.027 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -159.05 150.33 20.29 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.565 1.165 . . . . 0.0 111.031 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -105.84 -30.83 9.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.421 1.076 . . . . 0.0 111.025 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 41.14 -162.74 0.01 OUTLIER Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.46 1.1 . . . . 0.0 111.031 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 107.79 144.59 11.38 Favored Glycine 0 CA--C 1.53 0.977 0 N-CA-C 111.029 -0.829 . . . . 0.0 111.029 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 6.3 tmtt? -172.91 144.7 1.33 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.456 0.739 . . . . 0.0 109.321 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -178.1 155.01 0.91 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.296 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -155.06 146.5 23.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.11 . . . . 0.0 111.009 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 7.5 p -169.91 138.43 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.52 1.138 . . . . 0.0 109.288 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 16.0 m -137.06 177.92 5.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.147 . . . . 0.0 109.296 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 30.2 pt20 -178.31 152.11 0.67 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 110.3 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 29.7 m-70 58.64 166.94 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.564 1.165 . . . . 0.0 109.557 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 23.6 tp -166.33 -65.21 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.298 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.514 ' O ' ' CG ' ' A' ' 75' ' ' TRP . 0.0 OUTLIER -106.16 -61.73 1.47 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 109.264 -179.965 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' TRP . . . . . 0.514 ' CG ' ' O ' ' A' ' 74' ' ' LYS . 37.6 m95 -170.76 174.48 4.9 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.469 1.106 . . . . 0.0 108.039 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 9.3 t -88.3 64.44 7.61 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.509 1.131 . . . . 0.0 110.402 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 62.47 145.3 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 109.347 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -177.42 3.46 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.505 1.792 . . . . 0.0 111.018 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 50.0 p -41.0 -55.68 2.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.153 . . . . 0.0 110.007 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 85.89 85.49 1.03 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.493 1.12 . . . . 0.0 110.993 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -179.53 5.08 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.493 1.786 . . . . 0.0 111.041 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 54.03 170.76 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.147 . . . . 0.0 110.012 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -174.55 162.65 3.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.537 1.148 . . . . 0.0 110.002 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 O-C-N 124.43 1.081 . . . . 0.0 110.985 179.962 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 77.6 p -175.47 156.79 2.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 0.775 . . . . 0.0 109.987 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 93.5 p -163.97 163.45 23.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.113 . . . . 0.0 110.006 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -132.41 -148.78 6.11 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.496 1.123 . . . . 0.0 110.999 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 66.1 p -179.6 164.1 1.24 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.561 0.8 . . . . 0.0 109.999 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.2 m -158.91 135.13 9.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 110.024 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -134.2 -105.66 0.88 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.497 1.123 . . . . 0.0 110.949 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 2.8 mp 64.26 83.81 0.19 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.481 0.753 . . . . 0.0 109.303 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 141.86 27.14 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.502 1.791 . . . . 0.0 110.998 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -111.88 96.66 0.87 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.46 1.1 . . . . 0.0 110.999 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -50.85 0.12 Allowed 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.423 1.749 . . . . 0.0 110.994 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 73.41 135.72 0.27 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.553 1.158 . . . . 0.0 111.033 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -114.94 151.51 33.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 0.776 . . . . 0.0 110.91 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 14.2 t -140.49 152.55 45.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.135 . . . . 0.0 110.369 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . 46.55 73.27 0.19 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.46 1.1 . . . . 0.0 109.29 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -144.99 -154.94 6.28 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.516 1.135 . . . . 0.0 111.037 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -45.04 135.15 5.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 0.76 . . . . 0.0 109.309 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -89.19 -69.91 0.69 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 110.302 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -129.62 54.29 0.79 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.471 1.107 . . . . 0.0 110.992 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 45.1 t -128.03 150.87 49.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 0.741 . . . . 0.0 110.06 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.834 ' SG ' ' SG ' ' A' ' 45' ' ' CYS . 71.6 m -126.85 48.56 2.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 108.328 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.595 ' O ' ' CD1' ' A' ' 51' ' ' TYR . 0.2 OUTLIER -48.26 -73.3 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 110.046 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.5 ' CD2' ' O ' ' A' ' 23' ' ' LEU . 0.0 OUTLIER -114.1 -4.43 13.15 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 0.0 109.268 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.444 ' HA ' ' CZ ' ' A' ' 24' ' ' ARG . 5.4 mmp_? -46.87 -93.19 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 110.281 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 87.5 m 59.33 40.3 21.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.145 . . . . 0.0 108.298 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 166.1 55.98 0.03 OUTLIER Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.521 1.138 . . . . 0.0 110.981 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.413 ' O ' ' N ' ' A' ' 34' ' ' CYS . . . -156.13 159.12 38.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.543 0.79 . . . . 0.0 109.277 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.43 ' CG ' ' HB2' ' A' ' 35' ' ' HIS . 61.2 mt-30 -126.05 127.15 45.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 110.252 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -128.37 177.05 7.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 109.282 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -81.73 -58.64 2.48 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.551 1.157 . . . . 0.0 111.014 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.7 mt -57.22 -45.28 83.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.55 0.794 . . . . 0.0 109.309 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -146.39 -168.96 3.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.103 . . . . 0.0 108.347 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.443 ' N ' ' O ' ' A' ' 43' ' ' THR . 38.0 t -159.16 144.73 16.17 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.983 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.413 ' N ' ' O ' ' A' ' 27' ' ' ALA . 7.8 m -106.72 14.28 27.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.112 . . . . 0.0 108.299 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.44 ' CG ' ' HD2' ' A' ' 36' ' ' PRO . 0.0 OUTLIER -88.05 154.85 52.5 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.451 1.094 . . . . 0.0 109.608 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.44 ' HD2' ' CG ' ' A' ' 35' ' ' HIS . 18.2 Cg_endo -75.0 -18.27 18.86 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.472 1.775 . . . . 0.0 110.999 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 21.0 p -82.03 -11.67 58.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 110.381 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . 0.4 ' SG ' ' O ' ' A' ' 35' ' ' HIS . 14.3 p -57.93 -18.94 26.46 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.554 1.159 . . . . 0.0 108.344 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 15.6 t -70.78 -42.62 70.14 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.537 1.148 . . . . 0.0 109.998 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -74.66 -33.4 55.85 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.487 1.117 . . . . 0.0 110.977 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.1 mt -81.47 -54.35 5.52 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 0.762 . . . . 0.0 109.294 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 105.47 37.89 2.53 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.482 1.114 . . . . 0.0 110.981 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.443 ' O ' ' N ' ' A' ' 33' ' ' SER . 41.5 p -118.04 18.39 13.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.557 0.798 . . . . 0.0 110.375 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 61.7 m -61.91 149.27 40.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.456 1.098 . . . . 0.0 108.299 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . 0.834 ' SG ' ' SG ' ' A' ' 21' ' ' CYS . 0.8 OUTLIER -86.53 169.2 13.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 108.28 -179.967 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -78.98 -22.64 45.3 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.511 1.132 . . . . 0.0 110.281 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 32.3 p30 -113.01 15.02 19.74 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.285 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.453 ' O ' ' N ' ' A' ' 52' ' ' CYS . 22.6 t80 -68.73 -48.16 64.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.455 1.097 . . . . 0.0 110.997 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.49 ' O ' ' CB ' ' A' ' 53' ' ' LEU . 8.5 mt -73.47 -35.09 65.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 109.273 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -58.6 -39.77 81.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 109.303 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.595 ' CD1' ' O ' ' A' ' 22' ' ' SER . 6.3 m-85 -95.58 -22.13 17.81 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 111.038 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . 0.453 ' N ' ' O ' ' A' ' 48' ' ' PHE . 1.8 m -128.15 64.63 1.39 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 108.331 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.49 ' CB ' ' O ' ' A' ' 49' ' ' LEU . 0.2 OUTLIER -99.77 28.44 4.73 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.528 1.142 . . . . 0.0 109.254 -179.948 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -177.74 40.88 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.474 1.109 . . . . 0.0 110.317 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.442 ' CG2' ' HB3' ' A' ' 52' ' ' CYS . 7.2 pt -110.05 -25.63 3.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 109.313 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.3 mt -54.03 155.01 6.87 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.137 . . . . 0.0 109.294 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 90.45 1.08 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.515 1.797 . . . . 0.0 111.034 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -129.1 99.97 5.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 0.0 110.007 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 4.3 t -128.74 -59.66 1.13 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 0.0 109.965 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -146.9 -157.93 7.58 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.565 1.165 . . . . 0.0 110.979 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 63.7 p -134.94 102.1 5.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 0.758 . . . . 0.0 110.034 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 10.8 mtm 50.59 88.34 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 111.019 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -102.16 85.75 2.72 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 110.983 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 154.91 -82.71 0.16 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.52 1.138 . . . . 0.0 111.005 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 66.61 96.39 0.03 OUTLIER Glycine 0 CA--C 1.531 1.045 0 N-CA-C 110.946 -0.861 . . . . 0.0 110.946 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 11.9 tttt 60.91 174.47 0.1 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 0.767 . . . . 0.0 109.34 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -155.01 151.34 28.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.57 1.169 . . . . 0.0 109.315 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.544 ' CZ ' HG13 ' A' ' 70' ' ' VAL . 26.4 t80 -164.06 155.25 15.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.105 . . . . 0.0 111.002 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 8.2 p -148.93 159.06 6.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 109.354 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.544 HG13 ' CZ ' ' A' ' 68' ' ' PHE . 35.2 m -130.14 175.78 10.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 109.336 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 2.2 pt20 -110.0 142.51 41.29 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.542 1.151 . . . . 0.0 110.289 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 178.25 147.39 0.16 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 109.566 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 1.1 tp -171.81 155.03 3.77 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 109.291 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 62.0 tttt -171.48 149.98 2.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.451 1.094 . . . . 0.0 109.316 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . 1.3 t-105 -179.64 139.23 0.14 Allowed 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 10.7 t -134.79 164.01 28.51 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 110.381 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 18.2 t0 -158.24 105.82 1.7 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 109.305 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 178.36 7.37 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.509 1.794 . . . . 0.0 111.016 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -123.37 169.17 11.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 109.99 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -164.21 94.56 0.12 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.445 1.091 . . . . 0.0 110.997 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 178.82 6.76 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.494 1.786 . . . . 0.0 110.973 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 11.5 t -148.09 171.78 15.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 109.989 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 88.2 p -140.72 171.01 14.69 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.538 1.149 . . . . 0.0 109.987 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.991 0 O-C-N 124.509 1.131 . . . . 0.0 111.01 -179.977 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.029 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.9 p -127.08 166.79 16.96 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 0.769 . . . . 0.0 110.02 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.1 m -167.55 166.89 13.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.554 1.158 . . . . 0.0 110.018 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -58.2 140.67 46.4 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.448 1.093 . . . . 0.0 111.034 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 47.2 t -66.82 90.61 0.18 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 0.749 . . . . 0.0 110.031 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.8 m -61.5 169.31 2.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 110.017 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 127.7 86.79 0.55 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.503 1.127 . . . . 0.0 110.978 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 4.3 pt -127.89 81.57 70.08 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.491 0.759 . . . . 0.0 109.31 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 169.78 21.86 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.45 1.763 . . . . 0.0 111.034 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -48.06 -82.71 0.03 OUTLIER Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.505 1.128 . . . . 0.0 111.003 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.03 164.13 33.92 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.568 1.826 . . . . 0.0 110.971 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -82.61 152.02 29.99 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.443 1.089 . . . . 0.0 110.941 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 6.2 t80 -101.43 120.15 39.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.57 0.806 . . . . 0.0 111.05 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 5.0 m -136.3 152.93 51.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 0.0 110.358 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -141.51 156.66 45.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.152 . . . . 0.0 109.283 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 39.69 92.48 0.01 OUTLIER Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.535 1.147 . . . . 0.0 111.04 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -126.36 85.77 2.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 0.754 . . . . 0.0 109.312 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -125.94 -174.59 3.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.112 . . . . 0.0 110.285 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -37.78 99.13 0.01 OUTLIER Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.519 1.137 . . . . 0.0 110.992 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.2 t -122.02 151.06 41.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.541 0.789 . . . . 0.0 110.037 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.875 ' SG ' ' SG ' ' A' ' 45' ' ' CYS . 70.7 m -126.86 49.2 2.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.46 1.1 . . . . 0.0 108.311 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 15.6 m -83.9 -51.37 7.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 0.0 110.008 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -112.52 30.76 6.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 109.331 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.474 ' HD2' ' CB ' ' A' ' 27' ' ' ALA . 0.4 OUTLIER -119.31 -92.58 0.53 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.522 1.139 . . . . 0.0 110.276 -179.964 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 62.2 m 59.61 40.21 20.41 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.104 . . . . 0.0 108.273 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 165.3 57.41 0.02 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.454 1.097 . . . . 0.0 111.043 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.474 ' CB ' ' HD2' ' A' ' 24' ' ' ARG . . . -156.2 167.22 31.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 0.777 . . . . 0.0 109.306 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 76.2 mt-30 -126.23 126.96 44.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 110.29 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -128.33 174.64 9.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 109.312 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -81.11 -46.95 6.77 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.485 1.116 . . . . 0.0 110.951 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 25.7 mt -65.96 -32.22 73.58 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.525 0.779 . . . . 0.0 109.287 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 24.9 p -166.76 -168.82 1.2 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 108.283 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 27.7 t -148.59 137.56 21.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.128 . . . . 0.0 110.009 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.423 ' N ' ' O ' ' A' ' 27' ' ' ALA . 13.7 m -100.21 4.21 44.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 108.291 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.513 ' CG ' ' HD2' ' A' ' 36' ' ' PRO . 0.4 OUTLIER -74.93 149.47 85.42 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 109.64 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.513 ' HD2' ' CG ' ' A' ' 35' ' ' HIS . 18.2 Cg_endo -75.05 -1.61 11.47 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.491 1.785 . . . . 0.0 110.993 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 38.1 p -99.93 -3.18 32.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 110.415 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . 0.418 ' O ' ' N ' ' A' ' 42' ' ' GLY . 20.7 p -69.65 -20.72 63.58 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.593 1.183 . . . . 0.0 108.305 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 21.0 p -63.51 -41.87 98.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 110.018 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -73.94 -27.51 66.54 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.465 1.103 . . . . 0.0 110.993 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.409 HD21 ' N ' ' A' ' 41' ' ' LEU . 0.1 OUTLIER -83.9 -67.56 0.78 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.496 0.763 . . . . 0.0 109.297 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.418 ' N ' ' O ' ' A' ' 38' ' ' CYS . . . 117.72 39.63 0.76 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.508 1.13 . . . . 0.0 110.965 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 20.2 p -119.14 -3.28 10.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 0.771 . . . . 0.0 110.374 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . 0.416 ' HB3' ' CD2' ' A' ' 48' ' ' PHE . 20.7 m -42.7 143.7 0.66 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 108.296 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . 0.875 ' SG ' ' SG ' ' A' ' 21' ' ' CYS . 1.9 m -72.51 160.63 31.97 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.553 1.158 . . . . 0.0 108.31 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -69.64 -23.2 63.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.45 1.094 . . . . 0.0 110.299 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -112.87 19.59 17.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.328 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.463 ' O ' ' N ' ' A' ' 52' ' ' CYS . 23.2 t80 -66.91 -48.09 69.76 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 111.024 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 11.0 mt -73.52 -30.67 63.25 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.52 1.138 . . . . 0.0 109.287 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -58.73 -33.6 70.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 109.289 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.464 ' CB ' ' O ' ' A' ' 21' ' ' CYS . 37.2 m-85 -107.9 -17.88 13.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.451 1.094 . . . . 0.0 111.001 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . 0.463 ' N ' ' O ' ' A' ' 48' ' ' PHE . 2.0 m -127.22 66.84 1.29 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.118 . . . . 0.0 108.308 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -107.03 29.85 6.7 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 0.0 109.279 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -177.88 38.96 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 110.31 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 6.0 pt -110.1 -24.83 3.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.537 1.148 . . . . 0.0 109.284 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 34.4 mt -47.77 156.25 0.71 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.115 . . . . 0.0 109.279 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 174.71 12.32 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.499 1.789 . . . . 0.0 111.01 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' SER . . . . . 0.41 ' O ' ' N ' ' A' ' 60' ' ' GLY . 26.7 t -123.31 -57.82 1.65 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 109.985 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 68.65 -65.96 0.26 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.528 1.142 . . . . 0.0 109.986 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . 0.41 ' N ' ' O ' ' A' ' 58' ' ' SER . . . 87.36 -78.77 1.82 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.501 1.126 . . . . 0.0 111.019 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 43.79 91.61 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.476 0.75 . . . . 0.0 110.023 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -76.67 101.11 5.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 111.014 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 54.74 96.81 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.546 1.154 . . . . 0.0 110.975 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -84.34 -100.99 0.6 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.484 1.115 . . . . 0.0 111.022 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -174.21 159.99 29.45 Favored Glycine 0 CA--C 1.53 0.972 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 3.6 tttt -170.44 148.03 3.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 0.758 . . . . 0.0 109.304 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . 0.442 ' O ' ' CB ' ' A' ' 68' ' ' PHE . 0.6 OUTLIER -97.2 -64.06 1.08 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 109.29 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.442 ' CB ' ' O ' ' A' ' 67' ' ' ASP . 1.5 t80 71.57 -60.57 0.51 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 111.018 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 33.7 m -45.58 148.36 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 109.281 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 10.1 p -160.17 134.48 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.491 1.119 . . . . 0.0 109.281 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -150.14 -59.38 0.19 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.522 1.139 . . . . 0.0 110.337 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 -42.14 114.04 0.51 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.129 . . . . 0.0 109.575 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 1.3 tt -165.61 163.15 19.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 109.301 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.485 ' O ' ' CG ' ' A' ' 75' ' ' TRP . 22.1 tttt 65.61 137.52 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 0.0 109.279 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' TRP . . . . . 0.485 ' CG ' ' O ' ' A' ' 74' ' ' LYS . 11.9 m95 -170.43 162.4 8.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 107.959 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 17.0 m 60.58 156.44 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.468 1.105 . . . . 0.0 110.366 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -176.96 160.48 1.52 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 109.338 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 175.1 11.69 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.476 1.777 . . . . 0.0 111.0 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 3.6 m -158.53 -62.86 0.08 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.974 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 115.62 94.93 1.95 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.463 1.102 . . . . 0.0 111.036 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.92 176.17 10.24 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.476 1.777 . . . . 0.0 111.012 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 4.6 t -152.76 -179.8 7.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 109.984 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 82.1 p -150.12 170.48 18.82 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.446 1.091 . . . . 0.0 109.99 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.982 0 O-C-N 124.533 1.145 . . . . 0.0 111.007 -179.99 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.991 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 25.6 p -171.23 166.86 7.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 0.78 . . . . 0.0 109.94 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -155.8 152.88 28.98 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.447 1.092 . . . . 0.0 109.983 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 153.54 -80.4 0.19 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.482 1.114 . . . . 0.0 110.988 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 53.58 103.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 0.781 . . . . 0.0 110.01 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 25.6 p -123.79 108.47 12.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.586 1.179 . . . . 0.0 110.031 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -81.82 -126.16 0.85 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.488 1.118 . . . . 0.0 111.036 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 2.5 pt -128.43 156.15 77.47 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.474 0.749 . . . . 0.0 109.299 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 77.78 3.04 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.465 1.771 . . . . 0.0 111.034 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -126.21 -85.34 0.56 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.517 1.136 . . . . 0.0 110.981 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 148.92 36.12 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.508 1.794 . . . . 0.0 110.971 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -144.76 121.79 1.63 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.512 1.133 . . . . 0.0 111.02 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 28.0 p90 -146.79 157.43 43.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 0.756 . . . . 0.0 110.982 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 16.9 m 60.97 143.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 110.368 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -151.89 172.19 16.59 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.52 1.138 . . . . 0.0 109.292 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -81.09 -136.32 1.87 Allowed Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.508 1.13 . . . . 0.0 111.02 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -139.02 121.34 15.97 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.56 0.8 . . . . 0.0 109.319 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -178.98 172.05 1.32 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.135 . . . . 0.0 110.347 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -177.3 67.77 0.08 OUTLIER Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.463 1.102 . . . . 0.0 111.002 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 4.2 t -111.3 151.13 28.72 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 0.763 . . . . 0.0 109.993 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.791 ' SG ' ' SG ' ' A' ' 45' ' ' CYS . 72.5 m -126.52 45.6 2.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 108.334 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.519 ' HA ' ' CG ' ' A' ' 51' ' ' TYR . 43.7 p -81.44 -51.68 8.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 110.011 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -109.22 32.53 4.89 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 109.302 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.472 ' HD2' ' CB ' ' A' ' 27' ' ' ALA . 0.3 OUTLIER -124.45 -93.8 0.5 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.101 . . . . 0.0 110.298 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 47.0 m 59.42 40.16 21.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 108.305 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.412 ' N ' ' O ' ' A' ' 34' ' ' CYS . . . 165.36 56.04 0.02 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.531 1.144 . . . . 0.0 111.007 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.472 ' CB ' ' HD2' ' A' ' 24' ' ' ARG . . . -154.62 167.76 29.04 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.509 0.77 . . . . 0.0 109.308 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -126.31 126.93 44.75 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.562 1.164 . . . . 0.0 110.315 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -128.4 177.08 7.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.311 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -83.88 -55.31 2.84 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.53 1.144 . . . . 0.0 110.978 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -58.88 -41.57 87.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 0.753 . . . . 0.0 109.299 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.45 ' SG ' ' N ' ' A' ' 33' ' ' SER . 1.1 p -150.13 -161.72 1.4 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 108.319 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.45 ' N ' ' SG ' ' A' ' 32' ' ' CYS . 9.2 t -160.78 137.99 9.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.155 . . . . 0.0 110.017 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.412 ' O ' ' N ' ' A' ' 26' ' ' GLY . 10.3 m -103.4 25.28 9.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 108.329 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.522 ' CG ' ' HD2' ' A' ' 36' ' ' PRO . 0.1 OUTLIER -101.54 152.78 38.11 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 109.65 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.522 ' HD2' ' CG ' ' A' ' 35' ' ' HIS . 18.3 Cg_endo -75.0 -0.96 10.61 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.555 1.818 . . . . 0.0 111.002 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 4.4 p -102.21 6.06 40.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 110.391 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . 0.435 ' O ' ' N ' ' A' ' 42' ' ' GLY . 19.3 p -68.12 -20.49 64.92 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.469 1.105 . . . . 0.0 108.317 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -70.07 -44.01 70.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 109.957 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -70.2 -32.17 68.98 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.47 1.106 . . . . 0.0 110.979 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.3 mt -84.67 -63.75 1.28 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.542 0.789 . . . . 0.0 109.291 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.435 ' N ' ' O ' ' A' ' 38' ' ' CYS . . . 115.05 37.65 1.11 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.544 1.153 . . . . 0.0 111.017 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.443 ' O ' ' N ' ' A' ' 33' ' ' SER . 61.5 p -123.42 27.28 7.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 0.784 . . . . 0.0 110.343 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 37.0 m -65.99 145.96 55.26 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 108.27 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . 0.791 ' SG ' ' SG ' ' A' ' 21' ' ' CYS . 0.0 OUTLIER -88.49 151.36 22.58 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.456 1.097 . . . . 0.0 108.309 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -67.47 -18.48 65.08 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.476 1.11 . . . . 0.0 110.328 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 27.9 p30 -112.98 17.65 18.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 109.278 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.562 ' CE1' HD13 ' A' ' 55' ' ' ILE . 14.1 t80 -68.99 -48.51 62.93 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.123 . . . . 0.0 111.013 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.512 HD13 ' CD2' ' A' ' 48' ' ' PHE . 0.0 OUTLIER -73.96 -30.47 62.54 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 109.321 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -58.05 -37.03 73.63 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 1.135 . . . . 0.0 109.319 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.519 ' CG ' ' HA ' ' A' ' 22' ' ' SER . 36.3 m-85 -106.01 -16.82 14.52 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 111.012 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . 0.476 ' HB3' ' CG2' ' A' ' 55' ' ' ILE . 0.3 OUTLIER -132.98 67.4 1.53 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.558 1.161 . . . . 0.0 108.304 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.41 ' CB ' ' O ' ' A' ' 49' ' ' LEU . 0.5 OUTLIER -98.27 30.68 3.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 109.289 -179.976 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -177.76 40.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.564 1.165 . . . . 0.0 110.304 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.562 HD13 ' CE1' ' A' ' 48' ' ' PHE . 10.8 pt -112.66 -31.4 2.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.302 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 8.3 mt -51.87 159.49 1.36 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.283 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 154.85 42.73 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.511 1.795 . . . . 0.0 111.004 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -168.81 83.35 0.15 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.11 . . . . 0.0 109.969 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -134.03 157.91 44.88 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.531 1.144 . . . . 0.0 109.985 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 131.53 -166.72 22.85 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.496 1.123 . . . . 0.0 111.025 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -141.01 116.3 10.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 0.77 . . . . 0.0 109.992 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 1.7 mtm -120.6 122.55 40.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 111.024 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 2.4 ptt? -117.47 168.85 10.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 111.032 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -40.36 -79.45 0.05 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.481 1.113 . . . . 0.0 110.965 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 156.0 122.96 0.79 Allowed Glycine 0 CA--C 1.53 1.021 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 3.6 mttt -122.09 83.96 2.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.541 0.789 . . . . 0.0 109.301 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 13.9 t0 -123.74 118.17 26.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.125 . . . . 0.0 109.313 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 30.9 m-85 -76.02 103.23 5.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 110.986 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 35.7 m -89.66 150.51 3.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 109.281 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 12.9 m -120.6 150.16 23.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.445 1.091 . . . . 0.0 109.349 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 4.9 tt0 -128.32 93.8 3.74 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.542 1.151 . . . . 0.0 110.267 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -63.73 167.01 6.33 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.45 1.094 . . . . 0.0 109.58 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -129.91 140.18 51.0 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.521 1.138 . . . . 0.0 109.31 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.66 160.16 25.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.309 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -130.7 161.66 31.16 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 107.956 -1.127 . . . . 0.0 107.956 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 64.4 p -137.24 175.37 9.67 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.113 . . . . 0.0 110.463 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -139.3 145.78 45.91 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 0.0 109.274 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 -178.52 4.23 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.456 1.766 . . . . 0.0 111.015 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 35.6 m -150.92 169.16 22.41 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.449 1.093 . . . . 0.0 110.008 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -128.81 158.61 21.94 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.507 1.129 . . . . 0.0 111.006 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -173.0 1.41 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.49 1.784 . . . . 0.0 111.048 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 1.9 t -148.89 160.89 42.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.154 . . . . 0.0 109.997 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -83.98 164.62 19.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.974 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 O-C-N 124.516 1.135 . . . . 0.0 110.957 179.964 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 35.1 m -117.57 152.54 34.92 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 0.752 . . . . 0.0 110.006 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -174.64 124.12 0.28 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.573 1.171 . . . . 0.0 109.986 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -143.33 -162.29 9.26 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.498 1.123 . . . . 0.0 111.028 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.1 t -118.4 153.75 33.55 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.533 0.784 . . . . 0.0 110.02 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 178.1 152.87 0.3 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.458 1.099 . . . . 0.0 110.021 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -81.88 127.26 7.84 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.559 1.162 . . . . 0.0 110.981 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.519 ' N ' ' CD ' ' A' ' 9' ' ' PRO . 0.8 OUTLIER -70.01 -51.89 13.81 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.524 0.779 . . . . 0.0 109.318 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.519 ' CD ' ' N ' ' A' ' 8' ' ' ILE . 18.2 Cg_endo -75.02 142.21 27.52 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.524 1.802 . . . . 0.0 110.964 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -109.91 158.12 14.67 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.539 1.149 . . . . 0.0 111.005 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 56.88 4.35 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.445 1.76 . . . . 0.0 111.014 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -73.77 148.36 39.85 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.535 1.147 . . . . 0.0 111.014 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 55.5 t80 -46.4 -49.4 18.04 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.562 0.801 . . . . 0.0 111.024 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 15.5 m -156.88 -59.76 0.09 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 110.37 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -159.95 -60.51 0.06 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.153 . . . . 0.0 109.271 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 85.93 -163.37 36.38 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.47 1.107 . . . . 0.0 111.033 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -127.54 136.96 52.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 0.78 . . . . 0.0 109.305 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -171.52 -61.98 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.103 . . . . 0.0 110.31 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -66.11 75.84 0.12 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.451 1.094 . . . . 0.0 110.986 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.3 t -128.07 150.87 49.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 0.748 . . . . 0.0 109.991 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.77 ' SG ' ' SG ' ' A' ' 45' ' ' CYS . 57.0 m -124.09 58.11 1.19 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.538 1.149 . . . . 0.0 108.323 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 4.9 t -65.71 -64.77 0.78 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.458 1.099 . . . . 0.0 109.961 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.415 HD23 ' N ' ' A' ' 24' ' ' ARG . 0.4 OUTLIER -116.89 -4.04 11.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 0.0 109.346 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.467 ' HD2' ' CB ' ' A' ' 27' ' ' ALA . 0.4 OUTLIER -60.82 -92.08 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 110.285 -179.954 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 56.9 m 59.76 40.04 20.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.099 . . . . 0.0 108.3 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.415 ' N ' ' O ' ' A' ' 34' ' ' CYS . . . 168.1 55.8 0.03 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.448 1.093 . . . . 0.0 110.976 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.467 ' CB ' ' HD2' ' A' ' 24' ' ' ARG . . . -156.2 166.79 32.42 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.484 0.755 . . . . 0.0 109.262 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -126.31 126.94 44.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 110.315 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -128.2 173.57 10.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 109.316 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -78.12 -55.99 3.89 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.508 1.13 . . . . 0.0 110.999 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -58.6 -47.13 85.37 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 0.77 . . . . 0.0 109.311 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -146.03 -168.25 2.94 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.155 . . . . 0.0 108.347 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.436 ' N ' ' O ' ' A' ' 43' ' ' THR . 22.3 t -154.04 140.98 19.25 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.48 1.112 . . . . 0.0 110.024 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.423 ' N ' ' O ' ' A' ' 27' ' ' ALA . 20.7 m -104.88 27.39 8.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.152 . . . . 0.0 108.269 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.515 ' CG ' ' HD2' ' A' ' 36' ' ' PRO . 0.2 OUTLIER -107.53 150.74 40.49 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.585 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.515 ' HD2' ' CG ' ' A' ' 35' ' ' HIS . 18.1 Cg_endo -75.07 0.14 9.29 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.485 1.781 . . . . 0.0 111.028 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 30.4 p -95.17 -7.2 39.86 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.552 1.158 . . . . 0.0 110.413 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . 0.449 ' O ' ' N ' ' A' ' 42' ' ' GLY . 19.7 p -63.98 -20.21 65.72 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.522 1.138 . . . . 0.0 108.306 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 85.6 p -67.22 -41.5 85.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.14 . . . . 0.0 110.002 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -76.05 -33.63 49.46 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.445 1.091 . . . . 0.0 110.965 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -82.65 -68.39 0.71 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 0.749 . . . . 0.0 109.293 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 38' ' ' CYS . . . 120.76 42.05 0.5 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.472 1.108 . . . . 0.0 110.981 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.436 ' O ' ' N ' ' A' ' 33' ' ' SER . 75.4 p -124.21 24.02 8.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 0.771 . . . . 0.0 110.409 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 55.8 m -64.73 147.36 53.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 108.318 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . 0.77 ' SG ' ' SG ' ' A' ' 21' ' ' CYS . 0.0 OUTLIER -87.08 161.56 18.07 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.503 1.127 . . . . 0.0 108.312 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -73.52 -26.93 61.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 110.324 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -109.58 16.39 22.23 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.51 1.131 . . . . 0.0 109.339 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.458 ' O ' ' N ' ' A' ' 52' ' ' CYS . 18.6 t80 -68.89 -48.07 64.27 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.533 1.146 . . . . 0.0 111.026 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.452 ' O ' ' CB ' ' A' ' 53' ' ' LEU . 6.5 mt -73.56 -33.81 64.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.123 . . . . 0.0 109.301 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -58.79 -38.95 79.68 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.121 . . . . 0.0 109.313 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.414 ' CB ' ' O ' ' A' ' 21' ' ' CYS . 4.8 m-85 -98.1 -20.79 17.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 0.0 111.024 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . 0.458 ' N ' ' O ' ' A' ' 48' ' ' PHE . 1.8 m -126.22 64.29 1.24 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.549 1.155 . . . . 0.0 108.307 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.452 ' CB ' ' O ' ' A' ' 49' ' ' LEU . 0.3 OUTLIER -103.03 30.88 4.53 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 109.281 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -176.76 37.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 110.328 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 6.1 pt -110.24 -26.23 3.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 0.0 109.312 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.9 mt -46.97 155.03 0.66 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.46 1.1 . . . . 0.0 109.302 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.94 -176.75 3.02 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.469 1.773 . . . . 0.0 111.051 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 26.0 t -178.11 -55.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 110.043 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 30.2 t 39.54 76.95 0.06 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.517 1.135 . . . . 0.0 110.004 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 147.13 -139.94 8.25 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.565 1.166 . . . . 0.0 111.001 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -112.54 -57.7 2.24 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.45 0.735 . . . . 0.0 109.991 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 62.18 108.03 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.472 1.107 . . . . 0.0 110.984 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 2.1 ttt -75.03 -55.26 5.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 110.985 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 108.33 -163.84 12.79 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.539 1.149 . . . . 0.0 111.033 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -133.36 -179.72 16.61 Favored Glycine 0 CA--C 1.53 1.011 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 15.3 mtpt -99.37 177.48 5.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 0.786 . . . . 0.0 109.265 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -163.23 163.56 25.41 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.502 1.126 . . . . 0.0 109.267 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -150.97 158.22 43.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 110.973 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 26.8 m -136.82 166.48 25.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.332 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 35.7 m -121.73 174.15 6.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.482 1.114 . . . . 0.0 109.29 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -88.21 146.12 25.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.096 . . . . 0.0 110.305 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 2.8 t-80 -118.87 166.18 13.14 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.494 1.121 . . . . 0.0 109.633 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -99.58 174.25 6.34 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.104 . . . . 0.0 109.288 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.28 159.23 18.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 0.0 109.327 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -159.14 143.7 15.54 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.124 . . . . 0.0 107.994 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 67.7 p -94.76 152.94 18.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 110.454 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 10.6 p-10 -136.56 98.23 11.14 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 109.291 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 150.21 38.15 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.503 1.791 . . . . 0.0 111.015 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 94.7 p -94.15 155.77 16.9 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.49 1.118 . . . . 0.0 110.024 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -92.79 157.22 23.47 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.55 1.156 . . . . 0.0 111.044 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 84.6 1.62 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.517 1.798 . . . . 0.0 111.006 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 43.3 t -119.09 158.73 25.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 110.018 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 20.5 m -67.92 83.82 0.21 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.145 . . . . 0.0 110.002 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.02 0 O-C-N 124.493 1.12 . . . . 0.0 110.998 179.984 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 66.7 p -172.81 169.69 4.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 0.759 . . . . 0.0 109.996 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.6 t 66.21 148.84 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.555 1.159 . . . . 0.0 109.999 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 146.92 92.07 0.11 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.512 1.133 . . . . 0.0 111.005 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 64.0 129.56 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.452 0.736 . . . . 0.0 110.011 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -78.02 81.61 4.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 110.03 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 42.71 -113.08 0.56 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.442 1.089 . . . . 0.0 110.985 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 4.6 tp -146.51 91.9 5.26 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.51 0.77 . . . . 0.0 109.317 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 114.9 4.13 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.495 1.787 . . . . 0.0 110.982 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -37.22 98.11 0.01 OUTLIER Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.531 1.144 . . . . 0.0 111.01 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 159.57 40.95 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.454 1.765 . . . . 0.0 110.985 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -49.05 129.68 23.36 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.52 1.138 . . . . 0.0 110.991 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 38.0 p90 -137.75 141.5 40.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 0.784 . . . . 0.0 111.015 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 9.0 t -71.81 151.65 43.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.436 1.085 . . . . 0.0 110.363 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -82.25 142.68 31.92 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.523 1.139 . . . . 0.0 109.311 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -123.45 135.31 9.82 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.521 1.138 . . . . 0.0 110.968 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -80.96 159.08 24.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 0.785 . . . . 0.0 109.314 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 68.9 172.42 0.29 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.147 . . . . 0.0 110.292 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -177.51 62.74 0.09 OUTLIER Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.52 1.137 . . . . 0.0 111.039 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -117.6 150.37 39.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.449 0.734 . . . . 0.0 109.969 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.776 ' SG ' ' SG ' ' A' ' 45' ' ' CYS . 61.9 m -123.9 54.78 1.3 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.142 . . . . 0.0 108.325 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 38.8 t -64.8 -62.87 1.3 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.148 . . . . 0.0 110.007 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 3.9 pp -110.6 -23.0 11.34 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 0.0 109.273 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.464 ' HD2' ' CB ' ' A' ' 27' ' ' ALA . 0.3 OUTLIER -44.17 -94.32 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.146 . . . . 0.0 110.344 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 33.5 m 59.22 40.12 21.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 108.291 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.434 ' N ' ' O ' ' A' ' 34' ' ' CYS . . . 166.39 54.76 0.03 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.527 1.142 . . . . 0.0 110.967 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.464 ' CB ' ' HD2' ' A' ' 24' ' ' ARG . . . -154.03 165.73 35.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 0.744 . . . . 0.0 109.296 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 31.9 mt-30 -126.14 126.99 45.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.441 1.088 . . . . 0.0 110.344 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -128.33 176.52 7.63 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.289 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -83.1 -51.33 4.22 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.441 1.088 . . . . 0.0 111.01 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.4 -38.46 89.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 0.756 . . . . 0.0 109.317 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.433 ' SG ' ' N ' ' A' ' 33' ' ' SER . 1.1 p -154.27 -161.99 1.33 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.109 . . . . 0.0 108.345 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.435 ' N ' ' O ' ' A' ' 43' ' ' THR . 27.5 t -161.19 137.37 8.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 109.99 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.446 ' N ' ' O ' ' A' ' 27' ' ' ALA . 19.2 m -102.6 28.62 5.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.551 1.157 . . . . 0.0 108.299 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.52 ' CG ' ' HD2' ' A' ' 36' ' ' PRO . 0.1 OUTLIER -109.78 152.68 43.06 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.125 . . . . 0.0 109.56 -179.969 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.52 ' HD2' ' CG ' ' A' ' 35' ' ' HIS . 18.3 Cg_endo -74.95 -3.34 13.77 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.505 1.792 . . . . 0.0 111.024 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 30.9 p -93.07 0.75 57.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 0.0 110.36 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . 0.439 ' O ' ' N ' ' A' ' 42' ' ' GLY . 22.2 p -74.42 -13.7 60.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 108.287 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 6.3 t -70.88 -42.28 70.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.144 . . . . 0.0 109.988 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -75.96 -34.07 48.63 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.513 1.133 . . . . 0.0 111.013 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.6 mt -82.31 -59.82 2.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 0.776 . . . . 0.0 109.315 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.439 ' N ' ' O ' ' A' ' 38' ' ' CYS . . . 110.79 32.54 2.64 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.504 1.128 . . . . 0.0 111.022 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.435 ' O ' ' N ' ' A' ' 33' ' ' SER . 47.0 p -110.64 21.21 16.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 0.768 . . . . 0.0 110.365 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 39.5 m -63.69 146.65 53.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 108.27 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . 0.776 ' SG ' ' SG ' ' A' ' 21' ' ' CYS . 0.4 OUTLIER -84.41 167.76 16.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.107 . . . . 0.0 108.253 -179.962 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -77.54 -25.59 50.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 110.325 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.6 p30 -112.9 15.05 19.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.266 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.466 ' O ' ' N ' ' A' ' 52' ' ' CYS . 13.4 t80 -69.1 -48.2 63.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 110.977 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.495 ' O ' ' CB ' ' A' ' 53' ' ' LEU . 10.0 mt -73.68 -35.82 65.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 109.336 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -58.76 -40.76 84.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 109.362 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -94.06 -22.87 18.24 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 110.985 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . 0.469 ' HB3' ' CG2' ' A' ' 55' ' ' ILE . 1.0 OUTLIER -128.52 64.72 1.42 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 108.275 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.495 ' CB ' ' O ' ' A' ' 49' ' ' LEU . 0.2 OUTLIER -97.45 12.83 31.93 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.452 1.095 . . . . 0.0 109.298 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -163.34 45.79 0.12 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.463 1.102 . . . . 0.0 110.306 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.469 ' CG2' ' HB3' ' A' ' 52' ' ' CYS . 6.8 pt -111.73 -31.43 2.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.532 1.145 . . . . 0.0 109.31 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.418 ' C ' ' O ' ' A' ' 55' ' ' ILE . 1.2 mp -38.84 99.34 0.19 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.13 . . . . 0.0 109.316 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.425 ' N ' ' O ' ' A' ' 55' ' ' ILE . 18.3 Cg_endo -74.96 68.7 5.68 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.457 1.767 . . . . 0.0 111.004 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 61.4 p -124.61 -63.48 1.18 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.128 . . . . 0.0 110.004 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.2 t -59.64 118.55 6.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 109.958 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -112.08 -170.68 18.52 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.482 1.114 . . . . 0.0 110.994 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -46.79 133.3 10.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.555 0.797 . . . . 0.0 110.02 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -91.28 150.36 21.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.455 1.097 . . . . 0.0 111.009 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -88.03 159.08 18.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.445 1.09 . . . . 0.0 111.011 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 134.04 -109.58 0.81 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.577 1.173 . . . . 0.0 110.997 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -97.99 67.22 0.76 Allowed Glycine 0 CA--C 1.53 0.995 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 17.0 mttt -161.19 124.07 3.18 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.548 0.793 . . . . 0.0 109.321 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 26.7 t0 -117.96 96.39 5.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.557 1.161 . . . . 0.0 109.285 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -102.06 113.23 26.29 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.506 1.129 . . . . 0.0 111.044 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 33.0 m -123.63 168.15 16.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.51 1.131 . . . . 0.0 109.28 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 6.0 p -162.03 153.57 3.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.115 . . . . 0.0 109.299 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 5.6 pt20 -161.42 150.08 15.88 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.491 1.119 . . . . 0.0 110.303 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 2.5 t-80 -155.77 171.11 20.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 0.0 109.554 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -173.74 149.71 1.62 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 109.361 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 1.5 tttt -162.83 142.93 9.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.277 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . 9.3 m95 -159.08 146.16 17.21 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.533 1.146 . . . . 0.0 108.003 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 12.8 t -156.17 167.67 29.69 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 110.362 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -173.2 99.88 0.33 Allowed Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.115 . . . . 0.0 109.291 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.01 174.1 13.37 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.52 1.8 . . . . 0.0 111.049 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -152.54 170.86 19.14 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.474 1.109 . . . . 0.0 109.986 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 172.14 96.43 0.1 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.471 1.107 . . . . 0.0 110.981 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -179.91 5.44 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.551 1.816 . . . . 0.0 111.005 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 8.3 m -133.48 -53.66 0.89 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 110.016 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 13.0 t 60.26 159.22 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 0.0 109.986 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.976 0 O-C-N 124.535 1.147 . . . . 0.0 111.02 -179.981 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.967 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.1 t 62.33 146.05 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 0.752 . . . . 0.0 109.986 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 37.0 m -154.14 -59.36 0.12 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 0.0 109.975 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 66.65 -126.88 27.91 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.508 1.13 . . . . 0.0 111.026 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 55.67 98.73 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 0.76 . . . . 0.0 109.982 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 87.9 p -173.05 121.74 0.38 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.113 . . . . 0.0 110.046 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -169.59 90.64 0.1 OUTLIER Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.532 1.145 . . . . 0.0 111.007 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 7.1 mt -129.18 89.19 48.89 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.477 0.751 . . . . 0.0 109.287 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -45.38 0.28 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.486 1.782 . . . . 0.0 111.005 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 55.11 88.72 0.01 OUTLIER Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.498 1.124 . . . . 0.0 110.994 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 73.58 4.25 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.538 1.81 . . . . 0.0 111.037 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 167.35 77.69 0.04 OUTLIER Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.508 1.13 . . . . 0.0 111.016 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -98.3 133.7 42.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 0.772 . . . . 0.0 111.018 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 81.5 p -120.94 60.91 0.9 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 110.404 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . 60.17 160.93 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 0.0 109.287 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -53.52 174.14 0.42 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.497 1.123 . . . . 0.0 111.015 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -150.48 -65.82 0.2 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 0.739 . . . . 0.0 109.278 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -135.25 -174.77 3.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 110.332 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 102.68 52.2 0.98 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.524 1.14 . . . . 0.0 111.008 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.1 m -128.14 137.38 52.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 0.746 . . . . 0.0 109.979 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 20.4 m -94.76 73.43 3.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 108.346 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.5 -36.52 76.57 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.458 1.099 . . . . 0.0 109.964 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.499 ' CD2' ' O ' ' A' ' 23' ' ' LEU . 0.0 OUTLIER -167.94 32.13 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 0.0 109.303 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 17.0 mmm180 -90.71 -70.71 0.66 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 110.277 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 95.3 m 58.71 21.42 8.85 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 108.322 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 177.49 74.17 0.06 OUTLIER Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.447 1.092 . . . . 0.0 111.006 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -160.21 153.43 21.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.456 0.739 . . . . 0.0 109.351 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 28.7 mt-30 -120.57 126.82 51.28 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.132 . . . . 0.0 110.267 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -128.29 178.03 6.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 109.28 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -87.32 -29.18 22.92 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.482 1.114 . . . . 0.0 110.992 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 12.0 mt -86.39 -41.04 14.81 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.471 0.748 . . . . 0.0 109.27 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -154.72 -176.95 6.16 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.512 1.132 . . . . 0.0 108.318 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.448 ' N ' ' O ' ' A' ' 43' ' ' THR . 25.9 t -152.02 136.43 16.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 110.044 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.409 ' HA ' ' CD1' ' A' ' 48' ' ' PHE . 23.1 m -97.42 10.52 39.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.458 1.099 . . . . 0.0 108.345 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.525 ' CG ' ' HD2' ' A' ' 36' ' ' PRO . 0.7 OUTLIER -83.9 147.99 52.9 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.125 . . . . 0.0 109.628 179.988 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.525 ' HD2' ' CG ' ' A' ' 35' ' ' HIS . 18.4 Cg_endo -74.93 -5.54 16.93 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.484 1.781 . . . . 0.0 111.052 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 82.2 p -93.77 -4.07 50.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.143 . . . . 0.0 110.407 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . 0.442 ' O ' ' N ' ' A' ' 42' ' ' GLY . 20.7 p -68.23 -17.85 64.41 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.515 1.135 . . . . 0.0 108.317 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 7.7 t -66.33 -44.39 83.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 110.027 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -76.18 -27.99 61.01 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.56 1.162 . . . . 0.0 111.025 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 11.5 mt -82.88 -65.22 1.04 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 0.754 . . . . 0.0 109.288 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.442 ' N ' ' O ' ' A' ' 38' ' ' CYS . . . 116.66 40.34 0.79 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.536 1.148 . . . . 0.0 110.976 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.448 ' O ' ' N ' ' A' ' 33' ' ' SER . 72.8 p -125.41 19.81 8.08 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.511 0.771 . . . . 0.0 110.388 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 60.5 m -63.09 148.74 47.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.146 . . . . 0.0 108.288 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -84.77 164.92 18.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 108.273 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -80.72 -22.58 40.15 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.577 1.173 . . . . 0.0 110.299 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -113.06 12.96 19.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 109.302 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.431 ' O ' ' N ' ' A' ' 52' ' ' CYS . 11.1 t80 -67.75 -48.41 66.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 110.983 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.471 ' O ' ' CG ' ' A' ' 53' ' ' LEU . 10.6 mt -73.89 -34.26 64.35 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 109.3 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -62.13 -30.4 71.01 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.464 1.103 . . . . 0.0 109.343 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 6.5 m-85 -100.54 -29.35 12.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 111.039 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . 0.474 ' HB3' ' CG2' ' A' ' 55' ' ' ILE . 4.8 m -127.17 71.15 1.31 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 108.263 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.471 ' CG ' ' O ' ' A' ' 49' ' ' LEU . 0.2 OUTLIER -102.31 32.57 3.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.143 . . . . 0.0 109.311 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -172.41 37.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 110.283 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.474 ' CG2' ' HB3' ' A' ' 52' ' ' CYS . 6.9 pt -111.96 -31.13 2.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 109.308 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.2 mt -49.15 155.44 1.16 Allowed Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.536 1.148 . . . . 0.0 109.319 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 80.91 2.31 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.511 1.795 . . . . 0.0 111.039 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 97.2 p -82.97 94.8 7.82 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.499 1.125 . . . . 0.0 110.005 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.2 m -107.32 -61.45 1.55 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.988 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -172.81 -107.45 0.2 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.458 1.099 . . . . 0.0 111.033 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -131.59 131.64 43.44 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 0.763 . . . . 0.0 110.009 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -109.99 87.23 2.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 111.019 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 4.3 tpt -71.75 142.81 49.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.127 . . . . 0.0 110.994 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -119.96 150.05 17.67 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.476 1.11 . . . . 0.0 110.984 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -146.48 148.04 19.42 Favored Glycine 0 CA--C 1.53 1.003 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -144.15 158.07 43.93 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.471 0.747 . . . . 0.0 109.289 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 18.5 t0 -125.12 151.42 45.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 109.277 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -141.29 160.02 40.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.442 1.089 . . . . 0.0 110.987 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 6.4 p -157.05 149.45 10.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.525 1.141 . . . . 0.0 109.297 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 10.7 p -155.28 153.85 7.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.548 1.155 . . . . 0.0 109.268 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 11.0 pt20 -170.85 168.94 7.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.446 1.091 . . . . 0.0 110.286 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 36.1 t-80 -176.79 152.58 0.98 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.55 1.157 . . . . 0.0 109.559 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 4.4 pp -171.76 174.86 4.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.33 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 47.4 tttt -172.69 138.3 0.84 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 109.329 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . 52.2 t-105 178.66 131.57 0.07 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.511 1.132 . . . . 0.0 108.024 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 21.8 p -133.77 164.1 27.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 0.0 110.423 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.4 t70 177.0 95.54 0.12 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.332 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 162.41 37.14 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.458 1.767 . . . . 0.0 111.008 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.9 t -177.3 151.78 0.81 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.513 1.133 . . . . 0.0 110.015 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 175.42 96.96 0.1 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.55 1.157 . . . . 0.0 110.974 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -178.67 4.33 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.485 1.782 . . . . 0.0 111.001 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 42.8 t -158.08 156.41 30.97 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 110.02 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 177.93 169.74 0.71 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 110.01 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.973 0 O-C-N 124.543 1.152 . . . . 0.0 111.0 -179.973 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.951 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -168.72 168.46 10.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 0.759 . . . . 0.0 109.993 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -169.04 170.6 8.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.542 1.151 . . . . 0.0 109.994 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -170.51 157.0 27.91 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.527 1.142 . . . . 0.0 110.996 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.8 p -168.5 149.67 4.85 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.561 0.801 . . . . 0.0 110.014 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.2 p 179.02 150.61 0.29 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.476 1.11 . . . . 0.0 110.036 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 152.18 132.48 1.83 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.488 1.118 . . . . 0.0 111.005 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 3.5 mp -142.55 88.89 8.53 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.506 0.768 . . . . 0.0 109.281 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 177.28 8.81 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.455 1.766 . . . . 0.0 111.018 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -157.82 158.13 28.81 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.495 1.122 . . . . 0.0 110.986 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 178.56 7.11 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.529 1.805 . . . . 0.0 110.964 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 162.58 115.04 0.33 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.556 1.16 . . . . 0.0 111.0 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 11.3 t80 -150.31 171.01 17.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.425 0.721 . . . . 0.0 111.03 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 12.5 t -168.44 -44.1 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.44 1.088 . . . . 0.0 110.415 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . 67.03 164.72 0.21 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.546 1.154 . . . . 0.0 109.302 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 135.96 -165.04 24.96 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.516 1.135 . . . . 0.0 110.999 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -72.41 107.96 5.26 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.46 0.741 . . . . 0.0 109.301 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 1.3 pt20 -160.7 -174.55 4.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 110.26 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 112.35 54.33 0.48 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.462 1.101 . . . . 0.0 110.968 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 68.2 m -125.66 151.02 47.11 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 0.78 . . . . 0.0 110.03 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.911 ' SG ' ' SG ' ' A' ' 45' ' ' CYS . 79.0 m -128.51 40.57 3.63 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 108.276 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.523 ' HA ' ' CD1' ' A' ' 51' ' ' TYR . 1.1 p -73.22 -53.59 10.54 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.454 1.096 . . . . 0.0 109.977 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -111.21 42.3 1.68 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.472 1.107 . . . . 0.0 109.264 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.459 ' HD2' ' CB ' ' A' ' 27' ' ' ALA . 1.0 OUTLIER -132.02 -93.89 0.37 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 110.328 179.953 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 54.2 m 59.19 40.09 22.04 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.45 1.094 . . . . 0.0 108.266 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 165.78 55.45 0.03 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.504 1.128 . . . . 0.0 111.027 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.459 ' CB ' ' HD2' ' A' ' 24' ' ' ARG . . . -156.42 165.21 36.98 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 0.753 . . . . 0.0 109.307 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 98.2 mt-30 -126.19 126.98 44.98 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.535 1.147 . . . . 0.0 110.375 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -128.42 177.58 6.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.15 . . . . 0.0 109.313 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -81.53 -56.38 2.98 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.513 1.133 . . . . 0.0 111.026 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.3 mp -58.6 -47.05 85.64 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 0.754 . . . . 0.0 109.312 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -145.88 -174.39 4.41 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.53 1.144 . . . . 0.0 108.286 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.46 ' N ' ' O ' ' A' ' 43' ' ' THR . 10.5 t -149.13 137.56 20.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.987 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.435 ' N ' ' O ' ' A' ' 27' ' ' ALA . 12.8 m -102.42 22.56 13.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 108.284 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.524 ' CG ' ' HD2' ' A' ' 36' ' ' PRO . 0.1 OUTLIER -99.18 153.31 37.85 Favored Pre-proline 0 C--N 1.324 -0.524 0 O-C-N 124.492 1.12 . . . . 0.0 109.629 179.948 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.524 ' HD2' ' CG ' ' A' ' 35' ' ' HIS . 18.2 Cg_endo -75.06 0.02 9.44 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.546 1.814 . . . . 0.0 110.964 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -96.18 -10.13 28.87 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.539 1.15 . . . . 0.0 110.363 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 14.6 p -52.85 -22.66 5.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 108.293 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -69.73 -44.57 70.01 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 0.0 109.998 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -76.28 -31.87 53.58 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.49 1.119 . . . . 0.0 110.97 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 75.3 mt -81.15 -58.35 3.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 0.745 . . . . 0.0 109.285 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 110.69 27.04 4.52 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.433 1.083 . . . . 0.0 111.034 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.46 ' O ' ' N ' ' A' ' 33' ' ' SER . 46.2 p -118.97 42.66 2.76 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.496 0.763 . . . . 0.0 110.381 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 59.1 m -76.12 148.16 38.04 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.526 1.142 . . . . 0.0 108.326 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . 0.911 ' SG ' ' SG ' ' A' ' 21' ' ' CYS . 2.3 m -84.84 155.07 21.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 108.32 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -68.54 -27.74 66.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 110.333 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 6.7 p30 -113.24 17.6 18.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 109.3 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.463 ' O ' ' N ' ' A' ' 52' ' ' CYS . 16.3 t80 -64.83 -48.66 73.55 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.469 1.106 . . . . 0.0 110.977 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.464 ' O ' ' CB ' ' A' ' 53' ' ' LEU . 8.4 mt -74.03 -34.63 64.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 109.309 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -58.87 -37.79 77.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.125 . . . . 0.0 109.268 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.523 ' CD1' ' HA ' ' A' ' 22' ' ' SER . 4.9 m-85 -98.79 -20.51 16.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 111.032 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . 0.463 ' N ' ' O ' ' A' ' 48' ' ' PHE . 1.7 m -128.41 65.16 1.4 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 108.263 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.464 ' CB ' ' O ' ' A' ' 49' ' ' LEU . 0.3 OUTLIER -102.88 28.91 5.77 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 109.356 179.934 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -176.68 40.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 110.299 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.452 ' CD1' ' HB3' ' A' ' 52' ' ' CYS . 11.4 pt -110.55 -28.68 2.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 0.0 109.302 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.8 mt -47.95 155.51 0.84 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 109.306 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -49.95 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.491 1.785 . . . . 0.0 110.991 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 87.0 p -41.31 136.97 1.53 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.104 . . . . 0.0 110.027 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.8 t -175.62 -59.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 109.974 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 167.41 105.72 0.19 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.538 1.149 . . . . 0.0 111.046 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -156.67 124.72 5.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 0.769 . . . . 0.0 109.982 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -131.04 164.66 24.91 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 0.0 111.04 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -87.51 129.01 35.23 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 110.986 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -159.77 -96.82 0.12 Allowed Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.511 1.132 . . . . 0.0 110.984 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -116.92 164.71 12.36 Favored Glycine 0 CA--C 1.531 1.036 0 N-CA-C 110.941 -0.864 . . . . 0.0 110.941 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 1.5 mtmt -138.43 165.38 26.95 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 0.772 . . . . 0.0 109.315 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -120.56 166.45 13.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.31 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 3.9 t80 -96.04 160.91 14.21 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.527 1.142 . . . . 0.0 111.008 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 7.7 p -123.88 153.05 29.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.506 1.129 . . . . 0.0 109.32 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 9.4 p -88.51 163.19 2.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.501 1.125 . . . . 0.0 109.303 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 13.2 pt20 -122.48 169.93 10.49 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.491 1.119 . . . . 0.0 110.31 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 20.0 t60 -143.09 173.43 11.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 109.584 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -83.3 175.83 9.59 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 109.341 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 2.8 mttp 65.86 178.56 0.21 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 109.314 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . 15.2 m95 63.82 122.63 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 0.0 107.98 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 25.9 m -101.26 159.13 15.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.154 . . . . 0.0 110.383 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -70.53 142.43 89.01 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.551 1.157 . . . . 0.0 109.329 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -177.9 3.78 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.554 1.818 . . . . 0.0 110.994 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 2.3 m -97.95 171.09 8.5 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.515 1.134 . . . . 0.0 110.026 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -115.0 158.41 14.36 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.492 1.12 . . . . 0.0 110.983 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -175.68 2.49 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.442 1.759 . . . . 0.0 110.999 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 89.1 p -142.74 164.07 31.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 109.973 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 68.65 164.69 0.24 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 109.983 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.037 0 O-C-N 124.49 1.119 . . . . 0.0 110.977 179.995 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.954 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 36.2 t -162.02 -58.43 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.452 0.736 . . . . 0.0 110.009 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -55.34 99.68 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 109.991 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -147.12 144.58 12.74 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.467 1.104 . . . . 0.0 111.029 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.1 m -137.38 -60.2 0.67 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.498 0.764 . . . . 0.0 110.042 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.6 t 62.35 136.33 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 109.995 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 158.32 163.07 12.37 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.437 1.086 . . . . 0.0 111.03 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 5.4 tp -145.97 86.61 7.07 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.511 0.771 . . . . 0.0 109.291 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 140.59 25.6 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.532 1.806 . . . . 0.0 110.987 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -155.46 157.46 27.73 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.519 1.137 . . . . 0.0 110.993 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 142.94 28.57 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.455 1.766 . . . . 0.0 110.994 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -152.34 67.29 0.33 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.501 1.125 . . . . 0.0 110.992 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -87.71 161.36 17.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 0.769 . . . . 0.0 111.013 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 9.8 t -133.96 135.48 43.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.146 . . . . 0.0 110.423 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -147.39 102.17 3.44 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 109.333 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 125.57 130.4 3.46 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.493 1.121 . . . . 0.0 111.017 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -83.07 79.23 9.43 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.47 0.747 . . . . 0.0 109.318 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -59.57 -175.9 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 110.298 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 117.53 55.92 0.3 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.439 1.087 . . . . 0.0 111.003 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 4.5 p -124.62 151.02 45.37 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.518 0.775 . . . . 0.0 109.996 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.961 ' SG ' ' SG ' ' A' ' 45' ' ' CYS . 73.5 m -126.91 48.52 2.18 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.467 1.105 . . . . 0.0 108.316 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.523 ' HA ' ' CG ' ' A' ' 51' ' ' TYR . 30.4 t -84.33 -46.71 11.48 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.55 1.156 . . . . 0.0 109.971 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -111.41 32.37 5.42 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.548 1.155 . . . . 0.0 109.272 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.463 ' HD2' ' CB ' ' A' ' 27' ' ' ALA . 1.2 mtt180 -124.06 -93.25 0.51 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.491 1.119 . . . . 0.0 110.277 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 74.2 m 59.41 40.32 21.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 108.279 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 166.53 55.37 0.03 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.534 1.146 . . . . 0.0 110.97 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.463 ' CB ' ' HD2' ' A' ' 24' ' ' ARG . . . -156.6 163.49 39.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 0.767 . . . . 0.0 109.255 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 69.5 mt-30 -126.2 126.98 44.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 110.295 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -128.35 177.73 6.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.1 . . . . 0.0 109.239 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -81.13 -59.82 2.36 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.488 1.117 . . . . 0.0 111.004 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.3 mp -54.31 -46.54 72.85 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 0.773 . . . . 0.0 109.322 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.406 ' SG ' ' N ' ' A' ' 33' ' ' SER . 0.7 OUTLIER -146.46 -167.04 2.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 108.274 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.45 ' N ' ' O ' ' A' ' 43' ' ' THR . 18.8 t -155.89 140.61 17.04 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.518 1.136 . . . . 0.0 109.956 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.44 ' N ' ' O ' ' A' ' 27' ' ' ALA . 6.2 m -104.02 28.12 7.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 108.308 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.516 ' CG ' ' HD2' ' A' ' 36' ' ' PRO . 0.2 OUTLIER -109.17 152.07 42.35 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.504 1.127 . . . . 0.0 109.622 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.516 ' HD2' ' CG ' ' A' ' 35' ' ' HIS . 18.3 Cg_endo -75.01 -5.21 16.5 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.484 1.781 . . . . 0.0 111.014 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 41.9 p -86.73 -12.65 47.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.142 . . . . 0.0 110.408 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . 0.447 ' O ' ' N ' ' A' ' 42' ' ' GLY . 22.0 p -60.35 -17.13 41.27 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.517 1.136 . . . . 0.0 108.26 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 6.0 t -70.66 -39.94 73.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.137 . . . . 0.0 110.032 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -76.16 -33.96 47.96 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.557 1.16 . . . . 0.0 110.98 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.2 mt -85.46 -65.7 0.98 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 0.763 . . . . 0.0 109.312 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' ' 38' ' ' CYS . . . 119.89 37.98 0.73 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.541 1.151 . . . . 0.0 111.037 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.45 ' O ' ' N ' ' A' ' 33' ' ' SER . 72.3 p -119.44 30.88 6.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 0.767 . . . . 0.0 110.385 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 56.4 m -70.16 147.66 49.6 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 108.344 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . 0.961 ' SG ' ' SG ' ' A' ' 21' ' ' CYS . 2.5 m -81.57 155.86 25.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.138 . . . . 0.0 108.278 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -68.93 -27.94 66.21 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.129 . . . . 0.0 110.294 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 6.8 p30 -113.07 16.89 19.16 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 109.276 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.442 ' O ' ' N ' ' A' ' 52' ' ' CYS . 13.1 t80 -62.95 -48.23 79.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 0.0 110.985 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.454 ' O ' ' CG ' ' A' ' 53' ' ' LEU . 5.3 mt -73.53 -30.91 63.38 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.485 1.116 . . . . 0.0 109.278 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -58.64 -38.3 77.8 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.443 1.09 . . . . 0.0 109.294 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.523 ' CG ' ' HA ' ' A' ' 22' ' ' SER . 34.2 m-85 -101.02 -22.41 14.76 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.518 1.136 . . . . 0.0 111.03 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . 0.442 ' N ' ' O ' ' A' ' 48' ' ' PHE . 2.0 m -123.23 65.54 0.99 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.46 1.1 . . . . 0.0 108.318 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.454 ' CG ' ' O ' ' A' ' 49' ' ' LEU . 0.3 OUTLIER -104.29 27.25 7.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 109.34 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -177.08 42.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.555 1.159 . . . . 0.0 110.293 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.406 ' O ' ' N ' ' A' ' 57' ' ' PRO . 7.4 pt -111.71 -30.77 2.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.492 1.12 . . . . 0.0 109.316 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.1 mt -39.89 100.14 0.21 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 109.274 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.406 ' N ' ' O ' ' A' ' 55' ' ' ILE . 18.1 Cg_endo -75.04 133.93 17.13 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.471 1.774 . . . . 0.0 110.993 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -44.09 154.09 0.12 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.451 1.094 . . . . 0.0 109.977 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.2 m -80.75 -59.18 2.78 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.5 1.125 . . . . 0.0 109.966 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -129.4 157.0 21.57 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.468 1.105 . . . . 0.0 110.961 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -117.93 163.52 16.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 0.767 . . . . 0.0 109.997 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 68.19 -72.67 0.09 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 111.003 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER 54.1 92.77 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 111.036 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -61.17 -107.89 0.01 OUTLIER Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.53 1.144 . . . . 0.0 110.984 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 116.03 158.34 11.49 Favored Glycine 0 CA--C 1.531 1.06 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 1.9 tttt -122.39 78.89 1.55 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 0.779 . . . . 0.0 109.307 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -87.35 94.82 9.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 109.303 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 27.5 p90 -59.4 156.12 13.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 111.024 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 20.4 m -99.45 142.51 14.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 109.304 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 7.4 p -109.53 136.89 44.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.534 1.146 . . . . 0.0 109.318 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 48.5 mt-30 -55.61 147.04 19.03 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.54 1.15 . . . . 0.0 110.298 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 3.7 p80 -125.78 171.32 10.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 109.592 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -96.02 175.4 6.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.256 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 8.1 tttp -120.92 156.69 31.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.298 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -163.63 159.53 21.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.561 1.163 . . . . 0.0 108.005 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 99.7 m -145.54 155.22 42.94 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.537 1.148 . . . . 0.0 110.403 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -157.21 125.38 2.86 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 109.278 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 177.9 7.99 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.529 1.805 . . . . 0.0 110.99 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 33.9 p -151.32 166.19 31.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.49 1.119 . . . . 0.0 110.045 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -157.61 97.2 0.16 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.522 1.139 . . . . 0.0 110.989 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 179.47 6.06 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.47 1.774 . . . . 0.0 111.002 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 74.4 m -148.36 177.38 9.48 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.458 1.099 . . . . 0.0 110.038 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 5.5 t -146.53 171.57 14.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 109.987 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 O-C-N 124.506 1.129 . . . . 0.0 111.004 179.957 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.969 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.0 m -122.29 109.58 14.63 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.502 0.766 . . . . 0.0 109.999 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -136.68 111.89 9.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.143 . . . . 0.0 109.989 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 163.53 -82.74 0.11 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.51 1.131 . . . . 0.0 110.967 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.8 t -155.88 166.18 34.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 0.755 . . . . 0.0 109.999 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -67.65 -59.49 3.3 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.116 . . . . 0.0 109.999 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -155.02 145.31 12.29 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.505 1.128 . . . . 0.0 110.993 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 3.2 pt -146.66 89.56 5.75 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.441 0.73 . . . . 0.0 109.313 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 137.47 21.84 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.459 1.768 . . . . 0.0 110.992 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -155.59 172.08 33.67 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.501 1.126 . . . . 0.0 111.003 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -41.11 0.71 Allowed 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.505 1.792 . . . . 0.0 110.976 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -62.1 128.95 42.98 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.459 1.1 . . . . 0.0 111.004 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -155.62 170.36 22.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 0.747 . . . . 0.0 111.004 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 92.8 m -131.84 148.34 52.54 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 110.377 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -130.02 86.35 2.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 0.0 109.3 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 134.85 107.47 0.93 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.464 1.102 . . . . 0.0 110.971 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -174.7 156.8 2.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 0.781 . . . . 0.0 109.279 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 4.3 mm-40 59.73 165.52 0.06 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.547 1.154 . . . . 0.0 110.328 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 124.67 78.66 0.36 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.519 1.137 . . . . 0.0 110.996 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -119.72 151.03 39.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 0.762 . . . . 0.0 109.968 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 1.041 ' SG ' ' SG ' ' A' ' 45' ' ' CYS . 74.7 m -125.27 48.39 2.03 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.132 . . . . 0.0 108.277 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 10.6 m -82.65 -50.13 9.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.969 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -109.87 41.92 1.61 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.146 . . . . 0.0 109.292 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.466 ' HD2' ' CB ' ' A' ' 27' ' ' ALA . 1.0 OUTLIER -131.81 -93.2 0.38 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.143 . . . . 0.0 110.306 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 93.0 m 59.42 40.24 21.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.15 . . . . 0.0 108.304 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 160.27 60.16 0.01 OUTLIER Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.501 1.126 . . . . 0.0 111.026 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.466 ' CB ' ' HD2' ' A' ' 24' ' ' ARG . . . -156.46 162.43 39.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 0.783 . . . . 0.0 109.345 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 34.4 mt-30 -126.2 127.3 45.47 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.112 . . . . 0.0 110.268 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.49 ' CB ' ' O ' ' A' ' 32' ' ' CYS . 0.2 OUTLIER -128.15 177.25 7.04 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.524 1.14 . . . . 0.0 109.264 -179.964 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -82.56 -46.81 6.25 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.476 1.11 . . . . 0.0 110.963 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 72.4 mt -68.07 -42.59 80.23 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 0.764 . . . . 0.0 109.32 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.49 ' O ' ' CB ' ' A' ' 29' ' ' ASP . 5.7 p -156.54 -179.62 8.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.12 . . . . 0.0 108.266 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 38.7 t -141.6 145.7 35.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.553 1.158 . . . . 0.0 110.03 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.411 ' N ' ' O ' ' A' ' 27' ' ' ALA . 6.9 m -110.04 11.61 23.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.544 1.153 . . . . 0.0 108.272 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.519 ' CG ' ' HD2' ' A' ' 36' ' ' PRO . 0.3 OUTLIER -82.85 149.98 61.02 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 109.597 -179.98 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.519 ' HD2' ' CG ' ' A' ' 35' ' ' HIS . 18.3 Cg_endo -74.96 -0.8 10.4 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.431 1.753 . . . . 0.0 111.012 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 16.8 p -101.06 -6.43 24.41 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.56 1.162 . . . . 0.0 110.392 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . 0.43 ' O ' ' N ' ' A' ' 42' ' ' GLY . 25.7 p -62.47 -21.65 65.63 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.453 1.096 . . . . 0.0 108.282 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -63.6 -40.95 98.23 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.523 1.139 . . . . 0.0 110.018 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -75.53 -26.36 65.68 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.478 1.111 . . . . 0.0 111.027 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.9 mt -86.12 -69.12 0.69 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 0.756 . . . . 0.0 109.283 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.43 ' N ' ' O ' ' A' ' 38' ' ' CYS . . . 119.4 40.39 0.63 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.53 1.144 . . . . 0.0 110.99 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 12.5 p -126.65 14.47 7.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 0.741 . . . . 0.0 110.352 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 58.5 m -55.59 148.16 16.51 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.133 . . . . 0.0 108.288 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . 1.041 ' SG ' ' SG ' ' A' ' 21' ' ' CYS . 4.4 m -77.46 147.89 35.67 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.476 1.11 . . . . 0.0 108.31 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -62.15 -25.86 67.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 110.243 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -111.0 19.27 18.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.561 1.163 . . . . 0.0 109.288 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.56 ' CD2' HD12 ' A' ' 49' ' ' LEU . 9.2 t80 -62.41 -48.17 80.9 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 0.0 110.997 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.56 HD12 ' CD2' ' A' ' 48' ' ' PHE . 0.0 OUTLIER -73.5 -30.59 63.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.131 . . . . 0.0 109.31 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -58.47 -28.37 65.27 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.131 . . . . 0.0 109.293 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.416 ' CB ' ' O ' ' A' ' 21' ' ' CYS . 46.3 m-85 -113.96 -18.66 11.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.132 . . . . 0.0 111.002 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . 0.456 ' N ' ' O ' ' A' ' 48' ' ' PHE . 2.2 m -132.34 71.0 1.46 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 108.359 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -101.01 27.3 6.15 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.531 1.144 . . . . 0.0 109.275 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -172.52 55.39 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.5 1.125 . . . . 0.0 110.311 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.507 HD11 ' CE1' ' A' ' 48' ' ' PHE . 5.0 pt -130.21 -45.41 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 0.0 109.283 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.42 ' N ' HG13 ' A' ' 55' ' ' ILE . 53.2 mt -40.43 158.42 0.16 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.143 . . . . 0.0 109.298 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 156.43 43.15 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.512 1.796 . . . . 0.0 110.981 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 3.9 m -108.86 96.86 6.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 110.02 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -59.83 115.95 3.75 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.134 . . . . 0.0 110.013 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 61.11 140.31 0.01 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.472 1.107 . . . . 0.0 111.03 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 3.8 t -133.55 83.81 2.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.454 0.737 . . . . 0.0 110.029 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -179.66 118.58 0.06 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.546 1.154 . . . . 0.0 110.963 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -46.17 153.85 0.3 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 110.999 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -129.54 75.16 0.43 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.482 1.114 . . . . 0.0 111.018 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 99.58 -109.89 3.85 Favored Glycine 0 CA--C 1.531 1.036 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -165.86 75.16 0.21 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 0.778 . . . . 0.0 109.273 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . 0.529 ' HB3' ' CD1' ' A' ' 68' ' ' PHE . 0.9 OUTLIER -72.65 -59.49 2.69 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 109.296 179.974 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.529 ' CD1' ' HB3' ' A' ' 67' ' ' ASP . 50.5 p90 -176.68 121.58 0.14 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.544 1.153 . . . . 0.0 111.007 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 77.9 t -109.73 126.38 66.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 0.0 109.294 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 35.3 m -98.15 162.08 2.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 0.0 109.328 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 6.2 mt-30 -112.33 148.47 34.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 110.333 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 3.2 m80 -88.73 165.9 14.42 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.5 1.125 . . . . 0.0 109.617 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -127.83 171.26 11.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.283 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -99.66 167.42 10.58 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.524 1.14 . . . . 0.0 109.248 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . 43.3 t-105 -95.35 152.08 18.7 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 107.933 -1.136 . . . . 0.0 107.933 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 4.2 t -141.91 138.2 31.86 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.482 1.114 . . . . 0.0 110.416 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 25.0 p-10 -57.21 131.19 80.64 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.305 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.9 71.69 4.84 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.507 1.793 . . . . 0.0 111.037 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.7 m -97.22 92.49 6.04 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.498 1.124 . . . . 0.0 109.994 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -95.68 -78.47 1.41 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.452 1.095 . . . . 0.0 111.008 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 127.14 10.44 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.483 1.781 . . . . 0.0 111.027 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -41.92 107.57 0.08 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 0.0 109.985 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 28.5 p -127.36 151.7 48.44 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 109.996 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.033 0 O-C-N 124.557 1.161 . . . . 0.0 111.043 -179.998 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.026 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 65.19 153.12 0.06 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 0.745 . . . . 0.0 110.041 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 177.6 165.57 0.64 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.504 1.128 . . . . 0.0 110.007 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 175.19 -179.24 46.57 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.494 1.121 . . . . 0.0 111.015 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 83.5 p -167.57 162.5 14.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 0.761 . . . . 0.0 110.012 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.2 p -134.26 -53.74 0.84 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.143 . . . . 0.0 109.98 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.516 ' O ' ' CG1' ' A' ' 8' ' ' ILE . . . -75.1 165.94 54.77 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.461 1.101 . . . . 0.0 111.025 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.516 ' CG1' ' O ' ' A' ' 7' ' ' GLY . 0.4 OUTLIER 164.2 -52.61 0.0 OUTLIER Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.506 0.768 . . . . 0.0 109.34 -179.984 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.507 ' CD ' ' N ' ' A' ' 8' ' ' ILE . 18.1 Cg_endo -75.04 155.96 42.79 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.498 1.789 . . . . 0.0 110.977 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -136.14 157.48 23.47 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.504 1.127 . . . . 0.0 111.01 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 162.1 37.81 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.46 1.769 . . . . 0.0 111.026 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 118.13 115.54 2.69 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.536 1.148 . . . . 0.0 110.973 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 10.0 m-85 -135.42 120.97 19.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 0.783 . . . . 0.0 111.039 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 16.8 m -143.22 95.12 2.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.132 . . . . 0.0 110.4 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -128.06 150.22 50.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.143 . . . . 0.0 109.308 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 155.2 122.69 0.81 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.498 1.123 . . . . 0.0 110.995 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . 49.36 82.19 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 0.758 . . . . 0.0 109.292 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 4.3 pt20 -175.76 -178.68 1.1 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 110.316 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 115.99 56.81 0.33 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.479 1.112 . . . . 0.0 110.984 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 21.4 m -125.49 150.89 46.97 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 0.77 . . . . 0.0 110.02 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 1.037 ' SG ' ' SG ' ' A' ' 45' ' ' CYS . 67.5 m -122.4 61.7 0.98 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 108.316 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 6.0 t -84.72 -57.92 2.93 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 109.997 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.441 ' CD2' ' C ' ' A' ' 23' ' ' LEU . 0.0 OUTLIER -116.7 26.05 10.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 109.304 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.465 ' HD2' ' CB ' ' A' ' 27' ' ' ALA . 0.7 OUTLIER -102.78 -92.8 0.33 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 0.0 110.293 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 60.9 m 59.61 40.19 20.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.452 1.095 . . . . 0.0 108.259 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 166.43 56.14 0.03 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.464 1.102 . . . . 0.0 111.022 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.465 ' CB ' ' HD2' ' A' ' 24' ' ' ARG . . . -156.28 164.69 38.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 0.765 . . . . 0.0 109.317 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 60.3 mt-30 -126.27 126.92 44.79 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 110.305 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -128.23 175.12 8.69 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 109.286 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -79.82 -54.75 3.8 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.497 1.123 . . . . 0.0 110.976 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -60.42 -46.64 89.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 0.757 . . . . 0.0 109.278 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -145.5 -171.34 3.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 108.339 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.438 ' N ' ' O ' ' A' ' 43' ' ' THR . 19.4 t -153.28 137.69 16.7 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.454 1.096 . . . . 0.0 109.951 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.437 ' N ' ' O ' ' A' ' 27' ' ' ALA . 12.7 m -102.98 28.36 6.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.567 1.167 . . . . 0.0 108.299 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.518 ' CG ' ' HD2' ' A' ' 36' ' ' PRO . 0.1 OUTLIER -107.42 152.4 41.28 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 109.599 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.518 ' HD2' ' CG ' ' A' ' 35' ' ' HIS . 18.3 Cg_endo -74.98 -0.16 9.63 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.549 1.815 . . . . 0.0 110.984 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 50.7 p -94.63 -11.33 29.53 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.465 1.103 . . . . 0.0 110.389 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . 0.441 ' O ' ' N ' ' A' ' 42' ' ' GLY . 21.0 p -55.35 -20.71 12.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.421 1.076 . . . . 0.0 108.312 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -67.62 -40.14 84.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.449 1.093 . . . . 0.0 109.983 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -75.73 -34.1 49.72 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.46 1.1 . . . . 0.0 111.029 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.1 mt -83.2 -67.72 0.77 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 0.756 . . . . 0.0 109.332 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 38' ' ' CYS . . . 118.07 42.33 0.61 Allowed Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.467 1.104 . . . . 0.0 111.043 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.438 ' O ' ' N ' ' A' ' 33' ' ' SER . 46.9 p -129.22 29.35 5.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.446 0.733 . . . . 0.0 110.38 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 33.7 m -63.37 144.71 56.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 108.288 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . 1.037 ' SG ' ' SG ' ' A' ' 21' ' ' CYS . 2.9 m -79.2 145.87 33.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 108.313 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -61.97 -26.24 68.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.565 1.166 . . . . 0.0 110.291 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -111.75 19.74 17.73 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.528 1.143 . . . . 0.0 109.335 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.542 ' CD2' HD13 ' A' ' 49' ' ' LEU . 11.4 t80 -66.92 -48.2 69.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 110.982 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.542 HD13 ' CD2' ' A' ' 48' ' ' PHE . 0.0 OUTLIER -73.34 -30.3 63.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.318 179.97 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -57.94 -38.78 76.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 0.0 109.31 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.499 ' CB ' ' O ' ' A' ' 21' ' ' CYS . 44.6 m-85 -104.31 -16.56 15.12 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.548 1.155 . . . . 0.0 111.019 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . 0.47 ' HB3' ' CD1' ' A' ' 55' ' ' ILE . 0.4 OUTLIER -132.76 66.44 1.56 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 108.278 179.976 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.44 ' CB ' ' O ' ' A' ' 49' ' ' LEU . 0.4 OUTLIER -97.48 8.9 43.75 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.471 1.107 . . . . 0.0 109.29 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -159.55 46.1 0.26 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 0.0 110.321 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.505 HD13 ' CE1' ' A' ' 48' ' ' PHE . 8.6 pt -111.34 -29.17 2.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.471 1.107 . . . . 0.0 109.306 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 6.2 mt -54.51 155.05 7.85 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.109 . . . . 0.0 109.33 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -53.98 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.527 1.804 . . . . 0.0 110.993 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 36.4 t -178.03 85.75 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.496 1.122 . . . . 0.0 109.994 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.7 m 56.2 170.82 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.458 1.098 . . . . 0.0 109.988 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -98.46 69.76 0.64 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.529 1.143 . . . . 0.0 111.048 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 33.9 t -115.18 85.55 2.29 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.534 0.785 . . . . 0.0 109.983 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 4.1 ttt -177.71 108.51 0.06 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 110.984 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 37.3 mtt -132.92 145.58 51.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 110.995 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -113.35 -79.9 0.95 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.533 1.145 . . . . 0.0 110.96 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 38.94 90.45 0.01 OUTLIER Glycine 0 CA--C 1.53 1.017 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.21 163.78 31.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 0.766 . . . . 0.0 109.303 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 63.09 132.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.447 1.092 . . . . 0.0 109.292 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -165.36 155.33 13.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 111.027 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 8.3 p -131.71 153.44 38.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 109.283 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 65.8 t -128.24 144.67 37.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.299 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -160.84 147.57 15.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 110.327 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -174.5 172.85 3.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 109.58 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER 54.72 89.73 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.323 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -175.51 79.0 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 109.32 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . 30.3 m95 -150.59 144.85 25.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.133 . . . . 0.0 107.99 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 9.6 t -172.28 136.79 0.84 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.135 . . . . 0.0 110.386 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 177.84 99.55 0.14 Allowed Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 109.295 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -179.82 5.38 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.55 1.816 . . . . 0.0 111.021 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 12.9 m -143.71 169.79 17.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.108 . . . . 0.0 110.015 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 173.06 97.23 0.11 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.487 1.117 . . . . 0.0 110.996 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 -179.86 5.41 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.483 1.781 . . . . 0.0 111.0 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 8.2 t -169.59 172.68 6.8 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.129 . . . . 0.0 110.023 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 66.16 157.74 0.11 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 110.036 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.027 0 O-C-N 124.493 1.12 . . . . 0.0 110.996 -179.999 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.978 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.5 t -146.01 -58.56 0.31 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 0.751 . . . . 0.0 110.009 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 97.8 p -171.27 169.56 6.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.992 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -89.95 167.92 33.69 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.528 1.142 . . . . 0.0 111.012 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 35.6 p -148.86 134.65 18.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 0.745 . . . . 0.0 110.013 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -74.03 162.16 29.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 110.016 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -68.58 -152.71 0.46 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.486 1.117 . . . . 0.0 110.994 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 5.3 mp -133.31 87.9 36.98 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.454 0.738 . . . . 0.0 109.281 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 125.08 9.09 Favored 'Trans proline' 0 C--N 1.359 1.106 0 O-C-N 124.486 1.782 . . . . 0.0 111.03 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -85.95 158.72 32.15 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.508 1.13 . . . . 0.0 110.992 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.463 ' HG2' ' CG2' ' A' ' 14' ' ' THR . 18.2 Cg_endo -75.01 170.01 21.35 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.511 1.795 . . . . 0.0 111.017 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -77.62 -62.71 2.35 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.539 1.149 . . . . 0.0 111.016 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -80.12 101.36 8.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.564 0.802 . . . . 0.0 110.985 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.463 ' CG2' ' HG2' ' A' ' 11' ' ' PRO . 2.9 p -130.57 95.35 3.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.14 . . . . 0.0 110.401 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -141.73 159.39 42.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 109.317 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 155.79 163.84 12.62 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.526 1.141 . . . . 0.0 110.987 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -135.47 83.42 2.02 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.54 0.788 . . . . 0.0 109.324 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 7.1 pt20 -112.21 -176.35 2.9 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.107 . . . . 0.0 110.315 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 118.63 58.47 0.27 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.512 1.132 . . . . 0.0 110.944 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 12.1 p -125.76 151.02 47.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 0.748 . . . . 0.0 110.017 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.931 ' SG ' ' SG ' ' A' ' 45' ' ' CYS . 86.3 m -126.17 51.16 1.81 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 108.263 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.517 ' HA ' ' CG ' ' A' ' 51' ' ' TYR . 77.1 p -84.83 -47.48 10.32 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 109.956 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -112.41 26.58 10.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 109.272 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.472 ' HD2' ' CB ' ' A' ' 27' ' ' ALA . 1.1 mtt180 -117.43 -94.29 0.5 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.474 1.109 . . . . 0.0 110.299 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 60.3 m 59.43 40.12 21.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 108.309 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 165.63 55.19 0.02 OUTLIER Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.497 1.123 . . . . 0.0 110.992 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.472 ' CB ' ' HD2' ' A' ' 24' ' ' ARG . . . -154.42 166.95 31.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.451 0.736 . . . . 0.0 109.303 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 29.8 mt-30 -126.24 127.18 45.23 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.529 1.143 . . . . 0.0 110.299 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -128.18 173.27 10.25 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 0.0 109.306 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -79.91 -55.13 3.65 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.533 1.145 . . . . 0.0 111.003 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 29.1 mt -60.77 -41.64 95.9 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 0.778 . . . . 0.0 109.269 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -150.44 -170.62 3.7 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.144 . . . . 0.0 108.273 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.449 ' N ' ' O ' ' A' ' 43' ' ' THR . 18.6 t -153.3 139.21 18.1 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.513 1.133 . . . . 0.0 110.008 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 8.7 m -103.4 26.99 7.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 108.301 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.519 ' CG ' ' HD2' ' A' ' 36' ' ' PRO . 0.1 OUTLIER -105.74 151.82 40.0 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.582 -179.974 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.519 ' HD2' ' CG ' ' A' ' 35' ' ' HIS . 18.2 Cg_endo -74.95 -0.06 9.48 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.468 1.773 . . . . 0.0 110.984 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 66.2 p -96.99 -2.27 43.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.106 . . . . 0.0 110.393 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . 0.431 ' O ' ' N ' ' A' ' 42' ' ' GLY . 26.6 p -67.35 -19.06 65.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 108.304 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.6 m -67.5 -41.97 83.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 110.041 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -75.71 -32.26 54.42 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.444 1.09 . . . . 0.0 110.988 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 16.2 mt -82.38 -66.02 0.94 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 0.768 . . . . 0.0 109.333 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.431 ' N ' ' O ' ' A' ' 38' ' ' CYS . . . 116.8 38.45 0.89 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.472 1.108 . . . . 0.0 110.981 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.449 ' O ' ' N ' ' A' ' 33' ' ' SER . 58.9 p -125.56 27.89 6.38 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 0.767 . . . . 0.0 110.43 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 57.2 m -64.47 147.25 53.13 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.461 1.1 . . . . 0.0 108.263 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . 0.931 ' SG ' ' SG ' ' A' ' 21' ' ' CYS . 3.9 m -80.38 150.82 29.71 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.48 1.112 . . . . 0.0 108.291 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -65.08 -27.8 69.02 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.477 1.11 . . . . 0.0 110.272 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -110.96 20.82 17.12 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.486 1.116 . . . . 0.0 109.297 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.55 ' CD2' HD12 ' A' ' 49' ' ' LEU . 29.0 t80 -66.07 -48.57 70.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 0.0 110.954 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.55 HD12 ' CD2' ' A' ' 48' ' ' PHE . 0.2 OUTLIER -73.75 -30.05 62.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.434 1.084 . . . . 0.0 109.287 -179.966 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -57.77 -40.77 80.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.135 . . . . 0.0 109.313 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.517 ' CG ' ' HA ' ' A' ' 22' ' ' SER . 48.2 m-85 -101.67 -20.96 14.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 110.997 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . 0.472 ' HB3' ' CG2' ' A' ' 55' ' ' ILE . 0.1 OUTLIER -128.14 66.55 1.36 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.111 . . . . 0.0 108.25 -179.951 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.453 ' CB ' ' O ' ' A' ' 49' ' ' LEU . 0.3 OUTLIER -95.81 7.62 45.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.27 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -158.17 48.4 0.37 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 110.297 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.472 ' CG2' ' HB3' ' A' ' 52' ' ' CYS . 9.1 pt -113.8 -32.68 2.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.554 1.158 . . . . 0.0 109.322 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.416 ' N ' HG13 ' A' ' 55' ' ' ILE . 5.0 mt -54.8 154.75 8.96 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.346 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 110.4 3.11 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.431 1.753 . . . . 0.0 111.012 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -123.15 106.6 10.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.125 . . . . 0.0 110.003 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -157.1 160.76 39.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.986 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -82.61 -150.47 8.95 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.47 1.106 . . . . 0.0 111.0 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 2.1 m 57.44 98.98 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.525 0.779 . . . . 0.0 109.966 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 6.6 mtm -104.42 90.17 3.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 111.007 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 3.9 ptt? -67.28 148.19 52.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.125 . . . . 0.0 110.99 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -116.84 134.04 11.05 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.525 1.141 . . . . 0.0 110.996 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -114.59 -127.16 4.34 Favored Glycine 0 CA--C 1.53 0.973 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 4.3 pttp 41.28 49.28 3.3 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.476 0.75 . . . . 0.0 109.337 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -47.46 161.12 0.09 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.328 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -87.28 149.14 24.75 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.503 1.127 . . . . 0.0 110.973 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 35.0 m -119.82 161.91 18.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.524 1.14 . . . . 0.0 109.325 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 8.7 p -97.02 161.19 2.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.483 1.114 . . . . 0.0 109.291 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -92.14 169.7 10.41 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 110.261 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -118.11 172.66 7.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.107 . . . . 0.0 109.636 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -127.26 170.58 12.3 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.461 1.1 . . . . 0.0 109.276 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.414 ' O ' ' CG ' ' A' ' 75' ' ' TRP . 0.0 OUTLIER -119.59 175.53 5.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.437 1.086 . . . . 0.0 109.286 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' TRP . . . . . 0.414 ' CG ' ' O ' ' A' ' 74' ' ' LYS . 3.3 m-90 -160.85 161.43 31.88 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 69.4 p -126.85 172.56 10.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.542 1.151 . . . . 0.0 110.405 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -133.98 121.38 15.74 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.296 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -177.87 3.78 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.546 1.814 . . . . 0.0 110.988 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -125.48 170.26 11.59 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.117 . . . . 0.0 109.942 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -137.48 157.22 23.93 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.436 1.085 . . . . 0.0 110.989 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -174.71 2.04 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.521 1.8 . . . . 0.0 110.987 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 15.6 p -164.89 161.51 20.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.554 1.159 . . . . 0.0 109.956 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 69.07 167.4 0.28 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 109.983 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.955 0 O-C-N 124.507 1.129 . . . . 0.0 111.005 -179.983 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.983 0 N-CA-C 111.036 -0.826 . . . . 0.0 111.036 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -99.69 168.98 9.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 0.743 . . . . 0.0 110.023 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -112.62 168.84 9.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.553 1.158 . . . . 0.0 109.978 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -155.37 -66.41 0.01 OUTLIER Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.53 1.144 . . . . 0.0 110.967 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 51.5 p -54.78 149.66 10.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 0.749 . . . . 0.0 110.006 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.3 p -177.92 161.16 1.54 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.482 1.113 . . . . 0.0 109.991 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -66.69 -140.86 0.05 OUTLIER Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.544 1.152 . . . . 0.0 111.002 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.404 ' N ' ' HD3' ' A' ' 9' ' ' PRO . 0.6 OUTLIER 42.91 65.11 5.63 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.469 0.747 . . . . 0.0 109.291 -179.98 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.404 ' HD3' ' N ' ' A' ' 8' ' ' ILE . 18.3 Cg_endo -74.94 -44.3 0.35 Allowed 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.485 1.782 . . . . 0.0 111.039 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 123.19 97.27 1.3 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.472 1.108 . . . . 0.0 110.997 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 100.83 1.4 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.489 1.784 . . . . 0.0 110.975 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -74.49 120.54 6.53 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.493 1.121 . . . . 0.0 110.971 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -168.43 133.53 1.72 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.547 0.792 . . . . 0.0 111.048 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 3.5 m -78.85 142.77 36.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.551 1.157 . . . . 0.0 110.432 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -98.7 -59.47 1.73 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.567 1.167 . . . . 0.0 109.294 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 53.38 63.17 5.3 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.463 1.102 . . . . 0.0 110.997 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -143.38 -60.59 0.41 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 0.787 . . . . 0.0 109.305 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 5.5 pt20 -57.35 -175.88 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 110.296 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 104.26 63.03 0.67 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.492 1.12 . . . . 0.0 110.979 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -127.45 151.19 49.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 0.758 . . . . 0.0 110.021 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.589 ' SG ' ' SG ' ' A' ' 45' ' ' CYS . 37.2 m -128.32 44.5 2.94 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 108.296 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.456 ' HA ' ' CD1' ' A' ' 51' ' ' TYR . 29.0 t -75.3 -1.87 25.63 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.127 . . . . 0.0 110.017 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.497 ' CD1' ' C ' ' A' ' 23' ' ' LEU . 0.1 OUTLIER -168.99 32.52 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 109.34 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.501 ' CB ' ' SG ' ' A' ' 34' ' ' CYS . 1.8 mmm180 -105.38 -92.53 0.37 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.521 1.138 . . . . 0.0 110.294 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 72.6 m 59.63 40.34 20.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 108.289 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 158.35 61.21 0.01 OUTLIER Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.523 1.14 . . . . 0.0 111.043 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.44 ' CB ' ' NE ' ' A' ' 24' ' ' ARG . . . -158.86 155.62 28.13 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.492 0.76 . . . . 0.0 109.245 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 5.0 mm-40 -126.09 126.62 44.49 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.521 1.138 . . . . 0.0 110.307 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -128.63 177.8 6.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.44 1.087 . . . . 0.0 109.268 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -84.31 -50.65 4.21 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.491 1.119 . . . . 0.0 111.017 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -61.78 -43.53 98.68 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.526 0.78 . . . . 0.0 109.296 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.439 ' SG ' ' N ' ' A' ' 33' ' ' SER . 0.9 OUTLIER -150.05 -162.43 1.55 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 108.284 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.439 ' N ' ' SG ' ' A' ' 32' ' ' CYS . 23.3 t -165.25 139.35 4.82 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.508 1.13 . . . . 0.0 110.018 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.52 ' HA ' ' CD1' ' A' ' 48' ' ' PHE . 4.7 m -101.45 12.1 37.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 108.33 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.524 ' CG ' ' HD2' ' A' ' 36' ' ' PRO . 0.1 OUTLIER -83.21 152.32 64.64 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.133 . . . . 0.0 109.617 -179.981 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.524 ' HD2' ' CG ' ' A' ' 35' ' ' HIS . 18.3 Cg_endo -74.98 -19.87 17.47 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.505 1.792 . . . . 0.0 110.993 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 10.4 p -83.1 -2.43 55.39 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 110.381 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 15.7 p -64.45 -15.04 59.99 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.466 1.104 . . . . 0.0 108.305 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 98.4 p -70.47 -41.75 72.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.143 . . . . 0.0 109.998 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -76.05 -30.48 57.3 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.505 1.128 . . . . 0.0 110.989 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.4 mt -83.53 -55.83 4.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 0.774 . . . . 0.0 109.272 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 103.81 36.8 3.13 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.545 1.153 . . . . 0.0 110.963 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.432 ' O ' ' N ' ' A' ' 33' ' ' SER . 46.8 p -116.97 18.58 14.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.453 0.737 . . . . 0.0 110.425 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 35.5 m -62.1 146.14 51.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 108.263 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . 0.589 ' SG ' ' SG ' ' A' ' 21' ' ' CYS . 0.2 OUTLIER -83.43 168.07 16.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 108.294 179.954 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -78.4 -23.6 46.65 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.53 1.144 . . . . 0.0 110.304 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 6.0 p30 -113.01 9.82 18.74 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.532 1.145 . . . . 0.0 109.295 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.52 ' CD1' ' HA ' ' A' ' 34' ' ' CYS . 6.3 t80 -65.88 -48.34 71.84 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 0.0 111.005 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.493 ' O ' ' CG ' ' A' ' 53' ' ' LEU . 11.0 mt -74.0 -37.33 64.44 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.493 1.121 . . . . 0.0 109.3 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -58.85 -33.1 70.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.104 . . . . 0.0 109.298 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.456 ' CD1' ' HA ' ' A' ' 22' ' ' SER . 6.1 m-85 -98.37 -30.01 12.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 111.004 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . 0.46 ' N ' ' O ' ' A' ' 48' ' ' PHE . 3.3 m -125.56 69.94 1.18 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.447 1.092 . . . . 0.0 108.308 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.493 ' CG ' ' O ' ' A' ' 49' ' ' LEU . 0.2 OUTLIER -102.82 3.13 36.36 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.449 1.093 . . . . 0.0 109.284 -179.974 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -146.37 42.99 1.2 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.125 . . . . 0.0 110.326 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.416 ' CD1' ' HB3' ' A' ' 52' ' ' CYS . 8.5 pt -112.07 -31.1 2.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 109.316 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.1 mp -50.52 154.82 2.06 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.454 1.096 . . . . 0.0 109.321 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 148.03 34.65 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.5 1.79 . . . . 0.0 111.019 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -171.72 83.55 0.07 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 110.023 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 69.5 m -125.65 169.88 12.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 110.034 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -123.5 -76.84 0.34 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.501 1.125 . . . . 0.0 111.006 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 23.0 t 64.86 114.22 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.528 0.781 . . . . 0.0 110.064 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 1.7 mtm -55.48 170.0 0.27 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.451 1.094 . . . . 0.0 110.973 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -138.52 92.53 2.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 110.98 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -63.53 -134.19 0.01 OUTLIER Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.466 1.104 . . . . 0.0 110.976 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 170.15 161.64 21.03 Favored Glycine 0 CA--C 1.531 1.043 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 1.1 mmtt -59.62 158.17 10.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.566 0.803 . . . . 0.0 109.267 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . 0.405 ' OD2' ' CD2' ' A' ' 68' ' ' PHE . 4.2 p-10 -92.47 -56.05 3.17 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 109.306 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.405 ' CD2' ' OD2' ' A' ' 67' ' ' ASP . 7.6 p90 -174.51 147.09 1.08 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.45 1.094 . . . . 0.0 110.989 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 26.8 m -135.29 166.52 27.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 109.288 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 65.3 t -103.92 136.37 37.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.507 1.13 . . . . 0.0 109.35 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -98.52 171.22 8.29 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.548 1.155 . . . . 0.0 110.268 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 9.1 t-80 -171.76 -61.84 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 109.601 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -45.74 153.74 0.26 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.437 1.086 . . . . 0.0 109.281 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 6.1 pttt -111.42 173.73 6.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.45 1.094 . . . . 0.0 109.298 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -153.49 161.46 42.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 108.021 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 13.5 t -102.52 163.23 12.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.145 . . . . 0.0 110.396 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -105.87 146.84 33.67 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.456 1.097 . . . . 0.0 109.344 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -177.87 3.76 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.462 1.769 . . . . 0.0 111.019 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -99.55 147.55 25.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.145 . . . . 0.0 110.037 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -81.73 160.89 41.75 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.504 1.127 . . . . 0.0 111.007 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 -177.85 3.74 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.472 1.775 . . . . 0.0 111.018 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 13.3 p -137.1 170.79 15.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.464 1.103 . . . . 0.0 110.026 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 65.23 157.56 0.1 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.553 1.158 . . . . 0.0 109.969 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.958 0 O-C-N 124.554 1.159 . . . . 0.0 111.055 179.992 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 57.8 m -154.68 154.34 32.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.44 0.729 . . . . 0.0 109.996 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -132.86 169.88 16.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.978 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -86.63 -169.68 46.14 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.505 1.128 . . . . 0.0 111.014 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -175.45 143.78 0.65 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 0.768 . . . . 0.0 109.997 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -45.62 165.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.104 . . . . 0.0 110.015 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -139.98 142.98 13.11 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.504 1.127 . . . . 0.0 111.043 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 19.9 pt -73.25 155.79 89.69 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.507 0.769 . . . . 0.0 109.315 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 110.01 3.04 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.516 1.798 . . . . 0.0 110.983 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -95.2 -84.19 1.65 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.498 1.124 . . . . 0.0 111.006 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 96.73 1.03 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.518 1.799 . . . . 0.0 110.952 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -116.37 -94.34 1.85 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.548 1.155 . . . . 0.0 110.957 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 5.9 t80 -40.91 148.2 0.11 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.489 0.758 . . . . 0.0 110.984 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 69.9 p -98.4 146.42 25.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 110.381 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -111.21 174.04 6.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.113 . . . . 0.0 109.292 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -98.88 -155.3 29.01 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.492 1.12 . . . . 0.0 111.012 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -123.3 126.01 46.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.446 0.733 . . . . 0.0 109.274 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 1.7 mm-40 -156.01 171.84 19.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 110.263 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 118.27 68.05 0.34 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.466 1.103 . . . . 0.0 110.995 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 14.0 m -128.05 151.02 49.67 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 0.752 . . . . 0.0 109.978 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.605 ' SG ' ' SG ' ' A' ' 45' ' ' CYS . 51.5 m -127.19 48.85 2.15 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 0.0 108.254 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.409 ' HA ' ' CD2' ' A' ' 51' ' ' TYR . 7.1 t -74.67 -52.29 12.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 109.993 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.408 ' C ' ' CD1' ' A' ' 23' ' ' LEU . 0.2 OUTLIER -120.49 37.05 4.38 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.501 1.126 . . . . 0.0 109.316 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.1 mtt180 -121.04 -93.53 0.52 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 110.282 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 50.5 m 59.31 40.06 21.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 108.297 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 172.87 51.9 0.05 OUTLIER Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.519 1.137 . . . . 0.0 111.006 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -152.87 164.42 37.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 0.769 . . . . 0.0 109.311 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 45.5 mt-30 -126.23 126.86 44.73 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.118 . . . . 0.0 110.297 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -128.24 177.29 7.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 109.275 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -83.37 -56.24 2.72 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.506 1.129 . . . . 0.0 111.053 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 15.4 mt -57.53 -43.68 84.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 0.777 . . . . 0.0 109.329 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.437 ' SG ' ' N ' ' A' ' 33' ' ' SER . 0.6 OUTLIER -148.14 -165.58 2.3 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 108.286 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.456 ' N ' ' O ' ' A' ' 43' ' ' THR . 5.9 t -157.37 137.26 12.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.542 1.151 . . . . 0.0 109.991 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 33.0 m -100.85 21.93 12.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.554 1.159 . . . . 0.0 108.334 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.525 ' CG ' ' HD2' ' A' ' 36' ' ' PRO . 0.1 OUTLIER -102.1 153.82 37.78 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 0.0 109.602 -179.956 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.525 ' HD2' ' CG ' ' A' ' 35' ' ' HIS . 18.2 Cg_endo -75.03 0.36 9.02 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.474 1.776 . . . . 0.0 110.978 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -93.97 -6.15 46.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 110.421 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . 0.52 ' SG ' ' CE2' ' A' ' 48' ' ' PHE . 9.8 p -54.69 -21.02 9.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 108.29 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -70.1 -44.5 68.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.452 1.095 . . . . 0.0 110.0 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -76.24 -33.2 49.88 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.509 1.131 . . . . 0.0 110.999 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 87.9 mt -80.98 -58.91 2.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 0.77 . . . . 0.0 109.295 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 38' ' ' CYS . . . 107.45 29.56 4.43 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.484 1.115 . . . . 0.0 111.004 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.456 ' O ' ' N ' ' A' ' 33' ' ' SER . 67.7 p -119.02 41.48 3.05 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.446 0.733 . . . . 0.0 110.443 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 25.2 m -73.39 144.29 46.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 108.291 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . 0.605 ' SG ' ' SG ' ' A' ' 21' ' ' CYS . 0.8 OUTLIER -84.74 164.08 18.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 108.299 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -73.51 -28.09 61.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 110.307 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -113.04 16.16 19.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.292 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.52 ' CE2' ' SG ' ' A' ' 38' ' ' CYS . 20.8 t80 -68.97 -48.48 63.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 111.003 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.498 ' O ' ' CG ' ' A' ' 53' ' ' LEU . 9.2 mt -74.04 -34.32 64.04 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.509 1.131 . . . . 0.0 109.285 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -58.69 -39.28 80.29 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.484 1.115 . . . . 0.0 109.242 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.409 ' CD2' ' HA ' ' A' ' 22' ' ' SER . 3.8 m-85 -97.12 -23.65 16.12 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.475 1.11 . . . . 0.0 111.031 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . 0.47 ' HB3' ' CD1' ' A' ' 55' ' ' ILE . 1.3 m -125.25 65.64 1.14 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.557 1.161 . . . . 0.0 108.294 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.498 ' CG ' ' O ' ' A' ' 49' ' ' LEU . 0.2 OUTLIER -102.31 17.51 23.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.252 -179.972 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -167.59 42.67 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.522 1.139 . . . . 0.0 110.322 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.47 ' CD1' ' HB3' ' A' ' 52' ' ' CYS . 6.0 pt -110.51 -17.53 8.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.12 . . . . 0.0 109.288 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.431 HD11 ' N ' ' A' ' 56' ' ' LEU . 0.0 OUTLIER -101.34 157.37 33.8 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.427 1.079 . . . . 0.0 109.297 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 132.65 15.65 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.464 1.771 . . . . 0.0 110.973 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 32.9 m -120.2 91.72 3.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 109.962 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 73.01 -59.77 0.56 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.108 . . . . 0.0 110.042 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 75.68 122.26 0.14 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.495 1.122 . . . . 0.0 111.022 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -109.64 168.36 9.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 0.774 . . . . 0.0 109.977 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 2.1 mtp -124.0 166.0 16.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 110.971 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.47 96.25 0.51 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.44 1.088 . . . . 0.0 111.006 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -172.53 176.82 45.37 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.535 1.147 . . . . 0.0 111.003 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 167.91 159.01 12.67 Favored Glycine 0 CA--C 1.53 0.973 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.444 ' HZ1' ' N ' ' A' ' 67' ' ' ASP . 0.0 OUTLIER -152.57 146.98 25.65 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.451 0.736 . . . . 0.0 109.297 179.979 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . 0.444 ' N ' ' HZ1' ' A' ' 66' ' ' LYS . 14.8 t0 -165.74 161.5 18.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.263 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 6.2 t80 -122.95 166.97 14.18 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.137 . . . . 0.0 110.993 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 7.4 p -162.41 148.5 4.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.46 1.1 . . . . 0.0 109.335 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 3.7 p -136.31 143.09 36.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 109.241 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 11.7 tt0 -124.06 169.27 11.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 110.303 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 76.2 m-70 -141.02 174.33 10.62 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.116 . . . . 0.0 109.609 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -130.67 175.91 8.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.459 1.099 . . . . 0.0 109.31 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 2.4 tttt -109.92 171.72 7.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.346 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . 79.4 m95 -136.24 155.4 50.16 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 108.005 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 18.5 m -99.23 157.26 16.51 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.515 1.135 . . . . 0.0 110.39 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 2.2 p-10 -107.89 146.02 32.59 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.153 . . . . 0.0 109.341 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 173.81 13.88 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.449 1.763 . . . . 0.0 110.983 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.4 t -106.63 168.75 8.96 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.561 1.163 . . . . 0.0 110.009 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -93.12 158.05 23.65 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.451 1.094 . . . . 0.0 111.026 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -55.47 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.492 1.785 . . . . 0.0 110.978 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 9.6 t 63.49 134.7 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 110.006 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 6.7 m -152.03 171.29 18.07 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 110.026 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.974 0 O-C-N 124.552 1.157 . . . . 0.0 110.997 179.992 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.989 0 N-CA-C 111.055 -0.818 . . . . 0.0 111.055 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.0 t -154.57 164.66 38.36 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 0.753 . . . . 0.0 109.996 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 85.0 p -165.61 157.66 14.82 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.519 1.137 . . . . 0.0 109.998 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -138.13 -165.28 10.28 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.555 1.16 . . . . 0.0 110.961 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.9 m -158.63 161.82 37.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 0.782 . . . . 0.0 109.978 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -139.03 169.62 17.46 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.11 . . . . 0.0 110.008 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -106.28 175.13 20.99 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.472 1.108 . . . . 0.0 111.041 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 1.1 pt -143.39 156.6 60.56 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.501 0.765 . . . . 0.0 109.292 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 141.43 26.6 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.494 1.786 . . . . 0.0 110.954 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -112.69 97.16 0.87 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.513 1.133 . . . . 0.0 111.015 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 175.17 11.6 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.506 1.792 . . . . 0.0 110.986 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -94.45 -135.0 7.67 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.533 1.146 . . . . 0.0 110.993 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 33.9 t80 -154.87 110.2 3.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 0.763 . . . . 0.0 110.999 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 4.2 m 63.41 119.66 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 110.417 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -100.09 156.29 17.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.118 . . . . 0.0 109.298 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 149.42 -71.53 0.3 Allowed Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.529 1.143 . . . . 0.0 110.983 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -144.93 121.01 10.75 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.547 0.792 . . . . 0.0 109.279 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -153.06 171.75 17.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 110.299 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 113.68 74.38 0.64 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.482 1.114 . . . . 0.0 111.007 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.8 p -128.05 151.06 49.63 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.519 0.776 . . . . 0.0 110.003 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 66.3 m -124.12 57.76 1.21 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 108.297 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.553 ' HA ' ' CD2' ' A' ' 51' ' ' TYR . 23.2 t -77.53 -50.2 13.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 109.997 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -122.85 27.92 7.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 109.292 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.467 ' HD2' ' CB ' ' A' ' 27' ' ' ALA . 1.2 mtt180 -109.55 -95.58 0.41 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 110.315 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 34.2 m 59.14 38.8 23.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 108.33 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 34' ' ' CYS . . . 165.08 55.44 0.02 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.504 1.128 . . . . 0.0 111.01 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.467 ' CB ' ' HD2' ' A' ' 24' ' ' ARG . . . -151.51 167.71 27.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 0.757 . . . . 0.0 109.261 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 3.6 mt-30 -126.14 126.85 44.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.135 . . . . 0.0 110.29 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -128.63 177.43 7.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.44 1.087 . . . . 0.0 109.298 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -83.98 -51.61 3.93 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.481 1.113 . . . . 0.0 111.015 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.7 mp -62.09 -44.91 95.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 0.771 . . . . 0.0 109.306 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.448 ' SG ' ' N ' ' A' ' 33' ' ' SER . 1.7 p -147.24 -159.38 1.02 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 108.322 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.448 ' N ' ' SG ' ' A' ' 32' ' ' CYS . 19.7 t -163.97 137.65 5.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.448 1.092 . . . . 0.0 110.013 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.44 ' O ' ' N ' ' A' ' 26' ' ' GLY . 36.8 m -101.2 28.62 5.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.54 1.15 . . . . 0.0 108.29 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.52 ' CG ' ' HD2' ' A' ' 36' ' ' PRO . 0.2 OUTLIER -108.06 151.15 41.2 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.13 . . . . 0.0 109.605 179.98 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.52 ' HD2' ' CG ' ' A' ' 35' ' ' HIS . 18.1 Cg_endo -75.07 -4.64 15.68 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.49 1.784 . . . . 0.0 110.944 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 38.0 p -91.89 -2.42 56.84 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 0.0 110.437 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . 0.423 ' O ' ' N ' ' A' ' 42' ' ' GLY . 28.5 p -69.78 -12.09 61.36 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 108.308 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 12.4 t -71.25 -44.2 65.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 110.014 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -76.07 -34.06 48.12 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.513 1.133 . . . . 0.0 110.969 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.3 mt -81.08 -56.44 4.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 0.762 . . . . 0.0 109.279 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.423 ' N ' ' O ' ' A' ' 38' ' ' CYS . . . 105.21 38.47 2.46 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.526 1.141 . . . . 0.0 111.004 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.439 ' O ' ' N ' ' A' ' 33' ' ' SER . 41.8 p -117.03 20.49 13.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 0.762 . . . . 0.0 110.366 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 39.5 m -63.26 146.62 53.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.106 . . . . 0.0 108.314 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -82.98 166.18 19.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 108.267 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -75.57 -28.13 58.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.139 . . . . 0.0 110.312 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -113.07 16.84 19.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 109.297 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.465 ' O ' ' N ' ' A' ' 52' ' ' CYS . 15.5 t80 -68.18 -48.12 66.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 111.026 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.479 ' O ' ' CB ' ' A' ' 53' ' ' LEU . 6.4 mt -73.63 -36.52 65.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 0.0 109.239 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -58.8 -39.33 80.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 109.32 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.553 ' CD2' ' HA ' ' A' ' 22' ' ' SER . 8.0 m-85 -93.82 -25.34 17.41 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.457 1.098 . . . . 0.0 111.017 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . 0.465 ' N ' ' O ' ' A' ' 48' ' ' PHE . 1.8 m -125.96 65.32 1.2 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.45 1.094 . . . . 0.0 108.291 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.479 ' CB ' ' O ' ' A' ' 49' ' ' LEU . 0.3 OUTLIER -99.73 30.08 3.82 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.14 . . . . 0.0 109.295 179.975 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 -174.48 39.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.453 1.096 . . . . 0.0 110.311 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.443 ' CG2' ' HB3' ' A' ' 52' ' ' CYS . 5.4 pt -111.48 -30.37 2.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.446 1.092 . . . . 0.0 109.258 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.41 ' N ' HG13 ' A' ' 55' ' ' ILE . 1.1 mt -42.57 102.01 0.26 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.295 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 164.66 32.9 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.549 1.815 . . . . 0.0 110.972 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 3.0 t -142.09 87.67 2.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.441 1.088 . . . . 0.0 109.991 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -47.4 -59.88 2.9 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 109.966 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -139.81 -107.25 0.71 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.503 1.127 . . . . 0.0 111.026 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 12.1 p -124.08 -48.11 1.88 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 0.75 . . . . 0.0 110.012 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -141.03 113.64 8.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.118 . . . . 0.0 110.984 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -104.48 105.6 15.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.125 . . . . 0.0 110.996 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -160.34 179.72 35.67 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.464 1.103 . . . . 0.0 110.997 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 139.35 106.51 0.69 Allowed Glycine 0 CA--C 1.531 1.033 0 N-CA-C 110.952 -0.859 . . . . 0.0 110.952 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -125.36 94.03 4.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 0.772 . . . . 0.0 109.305 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -87.5 126.52 34.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.452 1.095 . . . . 0.0 109.294 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -150.19 128.95 12.41 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.125 . . . . 0.0 111.019 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 10.9 p -171.89 116.98 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 109.322 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.7 m -143.67 113.13 2.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 109.324 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 20.4 pt20 -150.94 132.98 15.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.111 . . . . 0.0 110.327 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 177.98 132.47 0.07 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.424 1.077 . . . . 0.0 109.606 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -165.56 85.19 0.36 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 109.274 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 1.5 mttp -169.62 132.19 1.18 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.125 . . . . 0.0 109.298 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' TRP . . . . . 0.438 ' CE3' ' HA ' ' A' ' 75' ' ' TRP . 0.4 OUTLIER -177.01 115.24 0.1 Allowed 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 8.7 t -170.01 137.81 1.64 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.145 . . . . 0.0 110.363 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 176.43 99.86 0.11 Allowed Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.445 1.09 . . . . 0.0 109.304 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.92 178.43 7.24 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.488 1.783 . . . . 0.0 110.982 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 3.7 m -157.53 165.21 36.21 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.136 . . . . 0.0 109.965 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -172.33 94.82 0.1 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.473 1.108 . . . . 0.0 110.994 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -179.14 4.7 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.525 1.803 . . . . 0.0 110.985 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 28.2 p -174.32 168.68 3.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 109.977 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 10.5 p -176.98 166.6 2.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 110.036 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 O-C-N 124.474 1.109 . . . . 0.0 111.018 -179.994 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.976 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -162.56 131.36 4.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 0.768 . . . . 0.0 109.987 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.6 t -133.65 127.84 33.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.103 . . . . 0.0 110.024 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -118.92 170.31 13.8 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.555 1.159 . . . . 0.0 111.034 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 80.1 p -124.67 138.13 54.32 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 0.781 . . . . 0.0 109.966 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 42.1 p -114.29 118.13 33.06 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.102 . . . . 0.0 109.949 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -104.72 68.26 0.27 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.519 1.137 . . . . 0.0 111.008 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -129.2 77.24 77.99 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.541 0.789 . . . . 0.0 109.297 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 -178.44 4.15 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.537 1.809 . . . . 0.0 111.011 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -46.17 124.27 7.43 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.494 1.121 . . . . 0.0 111.001 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 117.52 4.94 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.533 1.807 . . . . 0.0 110.991 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -167.67 111.8 0.46 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.516 1.135 . . . . 0.0 111.015 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -66.05 145.23 56.1 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.517 0.775 . . . . 0.0 111.008 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 6.3 t -39.46 154.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.097 . . . . 0.0 110.374 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -169.33 67.24 0.06 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.305 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 88.87 123.31 2.16 Favored Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.513 1.133 . . . . 0.0 110.999 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.41 139.49 58.78 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.523 0.778 . . . . 0.0 109.308 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 4.1 pm0 -102.79 -177.84 3.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 110.344 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 121.15 52.9 0.23 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.517 1.135 . . . . 0.0 110.992 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -124.72 150.95 45.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.549 0.793 . . . . 0.0 109.998 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.674 ' SG ' ' SG ' ' A' ' 45' ' ' CYS . 65.8 m -118.53 54.05 0.96 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.137 . . . . 0.0 108.304 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.569 ' HA ' ' CD2' ' A' ' 51' ' ' TYR . 58.3 p -55.74 -68.49 0.2 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 109.961 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.517 ' CD2' ' C ' ' A' ' 23' ' ' LEU . 0.0 OUTLIER -113.6 -13.32 12.75 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.464 1.103 . . . . 0.0 109.309 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.465 ' HD2' ' CB ' ' A' ' 27' ' ' ALA . 0.4 OUTLIER -50.03 -94.2 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.504 1.127 . . . . 0.0 110.333 -179.969 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 57.8 m 59.16 40.05 22.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.141 . . . . 0.0 108.346 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.437 ' N ' ' O ' ' A' ' 34' ' ' CYS . . . 166.79 54.49 0.03 OUTLIER Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.524 1.14 . . . . 0.0 110.994 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.465 ' CB ' ' HD2' ' A' ' 24' ' ' ARG . . . -152.78 167.32 29.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 0.779 . . . . 0.0 109.334 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 53.8 mt-30 -126.37 126.9 44.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.115 . . . . 0.0 110.276 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -128.34 178.03 6.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.139 . . . . 0.0 109.341 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -84.63 -51.53 3.83 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.517 1.136 . . . . 0.0 111.041 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -63.21 -46.18 88.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.455 0.738 . . . . 0.0 109.309 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.423 ' SG ' ' N ' ' A' ' 33' ' ' SER . 0.6 OUTLIER -144.05 -167.0 2.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 108.264 179.986 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.432 ' N ' ' O ' ' A' ' 43' ' ' THR . 4.9 t -156.57 136.35 12.52 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 110.007 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.437 ' O ' ' N ' ' A' ' 26' ' ' GLY . 19.9 m -104.23 21.99 15.58 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.447 1.092 . . . . 0.0 108.266 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.518 ' CG ' ' HD2' ' A' ' 36' ' ' PRO . 0.1 OUTLIER -95.64 153.16 39.49 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.115 . . . . 0.0 109.572 -179.993 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.518 ' HD2' ' CG ' ' A' ' 35' ' ' HIS . 18.3 Cg_endo -75.0 -16.11 20.37 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.472 1.775 . . . . 0.0 110.989 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 51.9 p -94.17 7.46 45.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 110.421 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 18.7 p -70.31 -18.28 63.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 108.281 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 58.6 p -71.25 -37.82 71.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.546 1.154 . . . . 0.0 110.034 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -75.73 -23.22 73.15 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.486 1.116 . . . . 0.0 111.03 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.6 mt -92.81 -51.66 4.98 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.532 0.783 . . . . 0.0 109.314 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 102.75 35.46 3.76 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.486 1.116 . . . . 0.0 110.983 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.432 ' O ' ' N ' ' A' ' 33' ' ' SER . 38.7 p -117.69 15.08 14.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 0.777 . . . . 0.0 110.341 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 59.9 m -59.16 148.57 31.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 108.284 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . 0.674 ' SG ' ' SG ' ' A' ' 21' ' ' CYS . 0.0 OUTLIER -86.46 161.85 18.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 108.26 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -73.29 -23.18 60.26 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.418 1.074 . . . . 0.0 110.276 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -112.15 15.37 20.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.125 . . . . 0.0 109.278 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.47 ' O ' ' N ' ' A' ' 52' ' ' CYS . 19.7 t80 -69.0 -48.16 63.77 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 0.0 111.05 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.478 ' O ' ' CB ' ' A' ' 53' ' ' LEU . 5.8 mt -73.82 -37.16 64.95 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.536 1.148 . . . . 0.0 109.289 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -58.81 -40.0 82.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.12 . . . . 0.0 109.321 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.569 ' CD2' ' HA ' ' A' ' 22' ' ' SER . 16.7 m-85 -92.71 -25.77 18.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.143 . . . . 0.0 110.994 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . 0.47 ' N ' ' O ' ' A' ' 48' ' ' PHE . 1.7 m -124.98 64.57 1.13 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 108.323 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.478 ' CB ' ' O ' ' A' ' 49' ' ' LEU . 0.3 OUTLIER -98.97 30.51 3.36 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.56 1.162 . . . . 0.0 109.282 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -168.94 31.61 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.448 1.093 . . . . 0.0 110.302 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.409 ' CG2' ' HB3' ' A' ' 52' ' ' CYS . 6.4 pt -110.79 -27.95 2.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 109.331 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 30.7 mt -48.75 154.88 1.12 Allowed Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 109.304 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 129.01 11.97 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.483 1.781 . . . . 0.0 111.0 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.8 p -108.09 106.36 16.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 0.0 110.037 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 4.8 t -105.76 138.12 42.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 0.0 110.006 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -156.59 88.81 0.12 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.487 1.117 . . . . 0.0 111.0 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 28.1 m -153.22 98.11 2.24 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.462 0.743 . . . . 0.0 110.012 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 57.92 87.86 0.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 111.012 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 1.4 mtp -77.86 -54.48 6.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 111.035 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -112.83 -137.4 6.89 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.517 1.135 . . . . 0.0 111.016 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -112.15 70.04 0.22 Allowed Glycine 0 CA--C 1.53 1.015 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.6 107.67 10.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 0.769 . . . . 0.0 109.326 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -148.55 165.17 32.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 109.279 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 31.4 p90 -116.73 165.03 13.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 110.98 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 9.9 p -116.96 148.66 19.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.556 1.16 . . . . 0.0 109.288 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 8.1 p -156.1 163.08 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 0.0 109.308 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 11.6 pt20 -159.58 168.86 25.08 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.539 1.149 . . . . 0.0 110.31 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 19.9 m80 -146.01 155.52 42.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.447 1.092 . . . . 0.0 109.642 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 6.6 mp -89.46 175.08 7.44 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.514 1.134 . . . . 0.0 109.315 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 1.1 mmtp -173.86 169.0 4.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 0.0 109.305 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . 2.3 p-90 -124.33 160.48 27.97 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 13.5 t -168.27 165.85 12.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 110.385 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -136.3 99.89 10.68 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.562 1.164 . . . . 0.0 109.321 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 178.76 6.81 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.521 1.801 . . . . 0.0 111.006 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -147.48 171.79 14.97 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 109.993 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -152.55 93.26 0.14 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.471 1.107 . . . . 0.0 110.968 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 179.1 6.42 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.447 1.761 . . . . 0.0 111.03 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 31.9 p -132.54 175.21 9.51 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.5 1.125 . . . . 0.0 110.04 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 50.5 m -160.95 168.71 24.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.966 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 O-C-N 124.538 1.149 . . . . 0.0 110.953 179.991 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 6.4 p . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 110.012 -0.366 . . . . 0.0 110.012 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.809 ' SG ' ' SG ' ' A' ' 45' ' ' CYS . 69.5 m -125.56 53.05 1.58 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.431 1.082 . . . . 0.0 108.311 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 17.0 p -83.63 -47.38 11.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 110.003 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.449 HD23 ' C ' ' A' ' 23' ' ' LEU . 0.4 OUTLIER -120.95 29.75 7.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 109.327 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.718 ' HD2' ' HB3' ' A' ' 27' ' ' ALA . 1.0 OUTLIER -114.71 -93.37 0.49 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.455 1.097 . . . . 0.0 110.277 -179.962 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 35.2 m 59.5 40.11 20.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 108.308 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 166.75 55.38 0.03 OUTLIER Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.489 1.118 . . . . 0.0 110.991 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.718 ' HB3' ' HD2' ' A' ' 24' ' ' ARG . . . -154.4 164.06 39.21 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.515 0.774 . . . . 0.0 109.335 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.42 HE21 ' CG ' ' A' ' 35' ' ' HIS . 83.8 mt-30 -126.28 127.01 44.93 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.481 1.113 . . . . 0.0 110.345 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 17.9 t0 -128.09 177.82 6.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.142 . . . . 0.0 109.308 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -82.93 -51.45 4.22 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.577 1.173 . . . . 0.0 110.962 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 20.5 mt -62.46 -45.79 91.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 0.768 . . . . 0.0 109.306 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.428 ' SG ' ' N ' ' A' ' 33' ' ' SER . 0.8 OUTLIER -146.02 -164.29 1.93 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.545 1.153 . . . . 0.0 108.331 180.0 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.439 ' N ' ' O ' ' A' ' 43' ' ' THR . 15.2 t -159.7 137.55 10.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.437 1.086 . . . . 0.0 110.014 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.484 ' HA ' ' CD1' ' A' ' 48' ' ' PHE . 19.5 m -102.33 22.85 12.66 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 108.254 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.519 ' CG ' ' HD2' ' A' ' 36' ' ' PRO . 0.1 OUTLIER -101.18 153.41 37.8 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 109.634 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.519 ' HD2' ' CG ' ' A' ' 35' ' ' HIS . 18.3 Cg_endo -74.94 -7.13 18.93 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.505 1.792 . . . . 0.0 111.029 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 72.5 p -87.55 -11.43 48.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 110.436 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.444 ' O ' ' N ' ' A' ' 42' ' ' GLY . 15.5 p -57.48 -19.49 24.75 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.113 . . . . 0.0 108.31 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -69.67 -39.9 76.75 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.491 1.12 . . . . 0.0 110.025 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -75.94 -33.24 51.12 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.484 1.115 . . . . 0.0 111.048 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.2 mt -84.89 -65.79 0.97 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 0.756 . . . . 0.0 109.312 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 38' ' ' CYS . . . 116.8 40.8 0.75 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.527 1.142 . . . . 0.0 111.02 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.439 ' O ' ' N ' ' A' ' 33' ' ' SER . 81.8 p -122.7 26.37 8.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 0.766 . . . . 0.0 110.398 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 21.9 m -64.99 144.21 57.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.15 . . . . 0.0 108.269 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' CYS . . . . . 0.809 ' SG ' ' SG ' ' A' ' 21' ' ' CYS . 0.8 OUTLIER -79.74 161.5 25.71 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.48 1.112 . . . . 0.0 108.273 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.97 -27.29 63.62 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.544 1.152 . . . . 0.0 110.289 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -113.11 14.98 19.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 109.285 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.484 ' CD1' ' HA ' ' A' ' 34' ' ' CYS . 17.0 t80 -68.99 -48.12 63.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.125 . . . . 0.0 111.046 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.498 ' O ' ' CB ' ' A' ' 53' ' ' LEU . 7.8 mt -73.51 -36.06 65.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 109.331 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.522 ' HA ' HD12 ' A' ' 53' ' ' LEU . 0.1 OUTLIER -58.77 -40.16 83.14 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.516 1.135 . . . . 0.0 109.315 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -95.11 -19.57 20.01 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 110.955 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' CYS . . . . . 0.449 ' N ' ' O ' ' A' ' 48' ' ' PHE . 1.5 m -130.75 63.63 1.58 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 108.309 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.522 HD12 ' HA ' ' A' ' 50' ' ' ASP . 0.2 OUTLIER -99.85 14.85 28.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.555 1.159 . . . . 0.0 109.287 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -162.05 42.74 0.14 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.504 1.127 . . . . 0.0 110.306 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.416 HD13 ' HB3' ' A' ' 52' ' ' CYS . 6.7 pt . . . . . 0 C--N 1.326 -0.439 0 O-C-N 124.498 1.124 . . . . 0.0 109.279 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 39.5 m . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.983 -0.377 . . . . 0.0 109.983 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.798 ' SG ' ' SG ' ' A' ' 45' ' ' CYS . 46.0 m -124.47 57.09 1.26 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.548 1.155 . . . . 0.0 108.294 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 13.4 m -85.72 -47.52 9.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 109.986 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.456 HD23 ' C ' ' A' ' 23' ' ' LEU . 0.4 OUTLIER -120.58 25.84 9.51 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.506 1.129 . . . . 0.0 109.291 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.678 ' HD2' ' HB3' ' A' ' 27' ' ' ALA . 1.5 mtt180 -108.9 -92.19 0.43 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.446 1.091 . . . . 0.0 110.341 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 65.6 m 59.61 40.11 20.54 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.113 . . . . 0.0 108.32 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 168.61 55.19 0.03 OUTLIER Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.547 1.155 . . . . 0.0 110.973 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.678 ' HB3' ' HD2' ' A' ' 24' ' ' ARG . . . -156.36 164.4 38.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 0.768 . . . . 0.0 109.265 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -126.29 127.01 44.92 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.112 . . . . 0.0 110.317 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -128.17 174.99 8.78 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 109.321 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -79.8 -56.55 3.29 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.466 1.104 . . . . 0.0 110.986 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -57.68 -43.46 85.09 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.488 0.758 . . . . 0.0 109.307 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.415 ' SG ' ' N ' ' A' ' 33' ' ' SER . 0.8 OUTLIER -149.05 -165.3 2.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.113 . . . . 0.0 108.295 -179.96 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.436 ' N ' ' O ' ' A' ' 43' ' ' THR . 22.2 t -158.32 138.22 12.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.14 . . . . 0.0 110.01 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.438 ' N ' ' O ' ' A' ' 27' ' ' ALA . 12.1 m -101.55 23.51 11.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.097 . . . . 0.0 108.315 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.519 ' CG ' ' HD2' ' A' ' 36' ' ' PRO . 0.1 OUTLIER -100.83 152.09 37.76 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.112 . . . . 0.0 109.546 -179.952 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.519 ' HD2' ' CG ' ' A' ' 35' ' ' HIS . 18.2 Cg_endo -75.07 -5.65 17.03 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.469 1.773 . . . . 0.0 110.995 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.576 ' O ' HD12 ' A' ' 41' ' ' LEU . 41.9 p -92.7 -6.9 48.21 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.13 . . . . 0.0 110.386 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.439 ' O ' ' N ' ' A' ' 42' ' ' GLY . 18.5 p -62.29 -17.6 59.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 108.277 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 59.6 p -70.64 -40.82 72.84 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 109.982 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -76.07 -33.87 48.67 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.494 1.121 . . . . 0.0 110.958 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.576 HD12 ' O ' ' A' ' 37' ' ' THR . 1.1 mt -81.95 -57.93 3.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 0.76 . . . . 0.0 109.33 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.439 ' N ' ' O ' ' A' ' 38' ' ' CYS . . . 109.89 34.92 2.28 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.529 1.143 . . . . 0.0 111.02 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.436 ' O ' ' N ' ' A' ' 33' ' ' SER . 62.5 p -116.63 24.17 11.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 0.745 . . . . 0.0 110.402 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 52.2 m -65.99 147.17 53.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 108.3 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' CYS . . . . . 0.798 ' SG ' ' SG ' ' A' ' 21' ' ' CYS . 0.1 OUTLIER -84.46 163.71 19.28 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.468 1.105 . . . . 0.0 108.268 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -75.06 -25.41 58.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 110.299 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -113.01 17.35 18.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 109.327 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.455 ' O ' ' N ' ' A' ' 52' ' ' CYS . 20.2 t80 -69.04 -48.16 63.59 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.469 1.106 . . . . 0.0 110.998 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.453 ' O ' ' CG ' ' A' ' 53' ' ' LEU . 5.3 mt -73.61 -30.97 63.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.552 1.157 . . . . 0.0 109.295 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -58.69 -38.55 78.48 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.538 1.149 . . . . 0.0 109.284 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.488 ' CB ' ' O ' ' A' ' 21' ' ' CYS . 26.8 m-85 -100.89 -22.64 14.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 110.985 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' CYS . . . . . 0.455 ' N ' ' O ' ' A' ' 48' ' ' PHE . 1.8 m -122.57 65.36 0.95 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 108.285 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.453 ' CG ' ' O ' ' A' ' 49' ' ' LEU . 0.3 OUTLIER -104.18 30.53 5.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 0.0 109.323 179.971 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -175.15 37.04 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.464 1.102 . . . . 0.0 110.302 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 6.5 pt . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 109.284 179.989 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 34.5 m . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 110.029 -0.36 . . . . 0.0 110.029 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.79 ' SG ' ' SG ' ' A' ' 45' ' ' CYS . 64.5 m -124.01 57.12 1.22 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 108.342 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 41.5 p -65.31 -63.75 1.03 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 110.011 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.626 HD12 ' C ' ' A' ' 23' ' ' LEU . 2.6 pp -110.89 -21.54 11.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 109.306 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.724 ' HD2' ' HB3' ' A' ' 27' ' ' ALA . 0.3 OUTLIER -44.53 -94.12 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 110.324 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 41.0 m 59.34 37.94 23.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 108.295 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' GLY . . . . . 0.439 ' N ' ' O ' ' A' ' 34' ' ' CYS . . . 168.03 56.18 0.03 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.552 1.157 . . . . 0.0 111.004 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.724 ' HB3' ' HD2' ' A' ' 24' ' ' ARG . . . -154.09 169.02 24.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 0.751 . . . . 0.0 109.268 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 18.5 mt-30 -126.15 127.23 45.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.153 . . . . 0.0 110.305 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -128.11 173.1 10.37 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 109.3 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -82.04 -52.52 4.03 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.439 1.087 . . . . 0.0 110.996 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 5.1 mt -63.8 -39.15 93.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.555 0.797 . . . . 0.0 109.291 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.425 ' SG ' ' N ' ' A' ' 33' ' ' SER . 0.8 OUTLIER -150.31 -164.62 2.06 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.464 1.103 . . . . 0.0 108.324 179.973 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.442 ' N ' ' O ' ' A' ' 43' ' ' THR . 11.0 t -160.42 137.23 9.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 110.045 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.439 ' O ' ' N ' ' A' ' 26' ' ' GLY . 13.3 m -102.14 31.27 4.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 108.322 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.521 ' CG ' ' HD2' ' A' ' 36' ' ' PRO . 0.2 OUTLIER -112.24 151.99 44.11 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 109.58 -179.964 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.521 ' HD2' ' CG ' ' A' ' 35' ' ' HIS . 18.3 Cg_endo -74.99 -2.5 12.62 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.514 1.797 . . . . 0.0 111.012 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.492 ' O ' HD12 ' A' ' 41' ' ' LEU . 78.8 p -90.52 -7.86 51.84 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.551 1.157 . . . . 0.0 110.356 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.451 ' O ' ' N ' ' A' ' 42' ' ' GLY . 20.1 p -64.14 -18.32 64.33 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.528 1.143 . . . . 0.0 108.265 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.3 -43.17 78.23 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.118 . . . . 0.0 109.99 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -76.08 -33.97 48.38 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.541 1.151 . . . . 0.0 110.963 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.492 HD12 ' O ' ' A' ' 37' ' ' THR . 1.2 mt -82.81 -68.08 0.73 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.458 0.74 . . . . 0.0 109.279 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.451 ' N ' ' O ' ' A' ' 38' ' ' CYS . . . 118.98 41.77 0.58 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.536 1.148 . . . . 0.0 110.984 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.442 ' O ' ' N ' ' A' ' 33' ' ' SER . 82.8 p -121.98 23.29 10.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.448 0.734 . . . . 0.0 110.387 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 27.4 m -63.28 144.68 56.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.106 . . . . 0.0 108.312 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' CYS . . . . . 0.79 ' SG ' ' SG ' ' A' ' 21' ' ' CYS . 0.8 OUTLIER -82.94 160.59 22.04 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.556 1.16 . . . . 0.0 108.291 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -71.17 -26.51 63.01 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.534 1.146 . . . . 0.0 110.297 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -113.1 15.29 19.55 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 109.305 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.458 ' O ' ' N ' ' A' ' 52' ' ' CYS . 16.4 t80 -69.0 -48.02 64.09 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 110.998 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.493 ' O ' ' CB ' ' A' ' 53' ' ' LEU . 9.0 mt -73.51 -35.85 65.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 109.265 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.43 ' HA ' HD12 ' A' ' 53' ' ' LEU . 1.0 OUTLIER -58.81 -40.73 84.97 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.469 1.106 . . . . 0.0 109.308 -179.967 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -93.85 -22.3 18.73 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.496 1.122 . . . . 0.0 111.026 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' CYS . . . . . 0.503 ' HB3' HG21 ' A' ' 55' ' ' ILE . 1.7 m -128.67 64.21 1.44 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 108.32 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.493 ' CB ' ' O ' ' A' ' 49' ' ' LEU . 0.3 OUTLIER -97.85 13.93 28.86 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.544 1.153 . . . . 0.0 109.241 -179.943 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -157.91 40.67 0.28 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.541 1.151 . . . . 0.0 110.249 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.503 HG21 ' HB3' ' A' ' 52' ' ' CYS . 6.4 pt . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.151 . . . . 0.0 109.305 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 5.8 p . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.997 -0.372 . . . . 0.0 109.997 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.714 ' SG ' ' SG ' ' A' ' 45' ' ' CYS . 66.1 m -127.02 48.85 2.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 0.0 108.314 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -75.79 -53.85 7.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.14 . . . . 0.0 109.992 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.494 ' N ' HD13 ' A' ' 23' ' ' LEU . 0.0 OUTLIER -117.93 36.28 4.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.554 1.159 . . . . 0.0 109.322 179.975 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.695 ' HD2' ' HB3' ' A' ' 27' ' ' ALA . 0.3 OUTLIER -120.45 -93.68 0.51 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.14 . . . . 0.0 110.274 -179.951 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 51.7 m 59.87 40.04 19.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 108.328 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 166.87 55.44 0.03 OUTLIER Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.487 1.117 . . . . 0.0 111.002 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.695 ' HB3' ' HD2' ' A' ' 24' ' ' ARG . . . -153.63 165.83 34.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 0.758 . . . . 0.0 109.31 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 75.9 mt-30 -126.22 127.02 45.0 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.455 1.097 . . . . 0.0 110.304 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.491 ' CB ' ' O ' ' A' ' 32' ' ' CYS . 0.1 OUTLIER -128.39 177.61 6.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 0.0 109.272 -179.968 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -83.22 -52.28 3.85 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.486 1.116 . . . . 0.0 111.021 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 21.2 mt -63.99 -44.69 91.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 0.775 . . . . 0.0 109.338 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.491 ' O ' ' CB ' ' A' ' 29' ' ' ASP . 0.8 OUTLIER -149.38 -179.77 7.32 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 108.285 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.428 ' N ' ' O ' ' A' ' 43' ' ' THR . 23.0 t -144.66 140.76 28.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.432 1.082 . . . . 0.0 110.005 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.409 ' N ' ' O ' ' A' ' 27' ' ' ALA . 22.2 m -104.33 21.62 16.3 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.559 1.162 . . . . 0.0 108.288 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.523 ' CG ' ' HD2' ' A' ' 36' ' ' PRO . 0.2 OUTLIER -98.66 151.5 37.47 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 0.0 109.577 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.523 ' HD2' ' CG ' ' A' ' 35' ' ' HIS . 18.4 Cg_endo -74.95 -2.22 12.24 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.459 1.768 . . . . 0.0 111.04 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.796 ' O ' HD12 ' A' ' 41' ' ' LEU . 31.7 p -94.48 -8.5 38.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 110.447 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.44 ' O ' ' N ' ' A' ' 42' ' ' GLY . 19.6 p -61.85 -21.52 64.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.115 . . . . 0.0 108.296 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 20.7 t -66.71 -42.06 86.99 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.518 1.136 . . . . 0.0 109.957 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -75.74 -30.32 58.07 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.49 1.119 . . . . 0.0 111.0 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.796 HD12 ' O ' ' A' ' 37' ' ' THR . 1.1 mt -84.35 -68.5 0.71 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 0.757 . . . . 0.0 109.303 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 38' ' ' CYS . . . 120.4 40.03 0.6 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.548 1.155 . . . . 0.0 110.948 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.428 ' O ' ' N ' ' A' ' 33' ' ' SER . 30.8 p -124.74 24.1 7.81 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 0.767 . . . . 0.0 110.399 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 32.2 m -65.44 145.61 55.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 108.271 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' CYS . . . . . 0.714 ' SG ' ' SG ' ' A' ' 21' ' ' CYS . 0.8 OUTLIER -79.54 160.37 26.51 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.556 1.16 . . . . 0.0 108.327 179.947 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -70.7 -26.28 63.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.148 . . . . 0.0 110.298 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 28.1 p30 -113.39 18.85 17.45 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.454 1.096 . . . . 0.0 109.315 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.455 ' O ' ' N ' ' A' ' 52' ' ' CYS . 13.0 t80 -69.33 -48.21 62.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 111.003 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.454 ' O ' ' CB ' ' A' ' 53' ' ' LEU . 5.9 mt -73.66 -35.07 65.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 109.287 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -58.58 -38.96 79.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 109.307 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -97.02 -20.75 17.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.457 1.098 . . . . 0.0 110.982 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' CYS . . . . . 0.455 ' N ' ' O ' ' A' ' 48' ' ' PHE . 1.9 m -127.58 64.13 1.35 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 108.298 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.454 ' CB ' ' O ' ' A' ' 49' ' ' LEU . 0.3 OUTLIER -101.81 31.09 4.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 109.268 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -176.2 37.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 110.294 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 6.8 pt . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.454 1.096 . . . . 0.0 109.309 179.996 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 9.2 p . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 110.034 -0.358 . . . . 0.0 110.034 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.776 ' SG ' ' SG ' ' A' ' 45' ' ' CYS . 62.9 m -126.7 50.39 1.95 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.108 . . . . 0.0 108.302 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 4.1 m -80.71 -50.67 9.6 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.994 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -114.71 34.07 5.0 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.536 1.147 . . . . 0.0 109.315 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.7 ' HD2' ' HB3' ' A' ' 27' ' ' ALA . 0.6 OUTLIER -121.79 -93.43 0.52 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 110.332 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 59.9 m 59.37 40.26 21.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 108.286 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 167.32 54.86 0.03 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.54 1.15 . . . . 0.0 110.965 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.7 ' HB3' ' HD2' ' A' ' 24' ' ' ARG . . . -154.22 166.25 33.73 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.488 0.758 . . . . 0.0 109.312 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.488 ' NE2' ' ND1' ' A' ' 35' ' ' HIS . 3.1 mm-40 -126.17 127.02 45.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.575 1.172 . . . . 0.0 110.255 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -128.22 177.69 6.76 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.515 1.134 . . . . 0.0 109.297 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -83.96 -56.65 2.55 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.489 1.118 . . . . 0.0 110.99 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 6.6 mt -58.89 -45.37 90.39 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 0.753 . . . . 0.0 109.315 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -145.48 -170.11 3.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.11 . . . . 0.0 108.268 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.446 ' N ' ' O ' ' A' ' 43' ' ' THR . 7.1 t -153.74 138.22 16.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 0.0 110.028 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 11.7 m -102.3 20.62 16.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 0.0 108.326 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.523 ' CG ' ' HD2' ' A' ' 36' ' ' PRO . 0.1 OUTLIER -95.39 151.63 38.77 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.466 1.104 . . . . 0.0 109.596 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.523 ' HD2' ' CG ' ' A' ' 35' ' ' HIS . 18.5 Cg_endo -74.94 0.15 9.22 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.487 1.783 . . . . 0.0 111.031 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -96.61 -9.0 30.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 110.366 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.442 ' O ' ' N ' ' A' ' 42' ' ' GLY . 12.9 p -52.72 -22.47 5.26 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 108.291 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.36 -44.59 67.79 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 110.035 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -76.22 -33.73 48.35 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.493 1.121 . . . . 0.0 111.015 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 67.9 mt -81.05 -59.56 2.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 0.742 . . . . 0.0 109.275 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.442 ' N ' ' O ' ' A' ' 38' ' ' CYS . . . 112.65 27.94 3.64 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.504 1.128 . . . . 0.0 111.052 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.446 ' O ' ' N ' ' A' ' 33' ' ' SER . 47.2 p -116.86 44.54 2.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 0.758 . . . . 0.0 110.396 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 39.5 m -79.62 146.64 32.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 108.269 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' CYS . . . . . 0.776 ' SG ' ' SG ' ' A' ' 21' ' ' CYS . 1.3 m -86.18 163.27 17.91 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.545 1.153 . . . . 0.0 108.297 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -74.59 -28.07 60.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.113 . . . . 0.0 110.314 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -113.13 18.08 18.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 109.282 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.455 ' O ' ' N ' ' A' ' 52' ' ' CYS . 22.7 t80 -69.05 -48.42 62.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 110.978 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.45 ' O ' ' CB ' ' A' ' 53' ' ' LEU . 4.9 mt -73.76 -31.81 63.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.142 . . . . 0.0 109.292 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -58.74 -39.48 81.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.304 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 22.2 m-85 -99.31 -21.96 15.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 110.984 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' CYS . . . . . 0.476 ' HB3' HD13 ' A' ' 55' ' ' ILE . 1.7 m -124.02 64.94 1.05 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 108.283 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.45 ' CB ' ' O ' ' A' ' 49' ' ' LEU . 0.3 OUTLIER -102.56 29.38 5.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 109.298 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -174.65 38.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 0.0 110.291 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.476 HD13 ' HB3' ' A' ' 52' ' ' CYS . 9.5 pt . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 109.262 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 45.1 t . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 110.06 -0.348 . . . . 0.0 110.06 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.834 ' SG ' ' SG ' ' A' ' 45' ' ' CYS . 71.6 m -126.85 48.56 2.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 108.328 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.595 ' O ' ' CD1' ' A' ' 51' ' ' TYR . 0.2 OUTLIER -48.26 -73.3 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 110.046 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.967 ' O ' HD22 ' A' ' 23' ' ' LEU . 0.0 OUTLIER -114.1 -4.43 13.15 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 0.0 109.268 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.613 ' N ' HD13 ' A' ' 23' ' ' LEU . 5.4 mmp_? -46.87 -93.19 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 110.281 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 87.5 m 59.33 40.3 21.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.145 . . . . 0.0 108.298 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 166.1 55.98 0.03 OUTLIER Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.521 1.138 . . . . 0.0 110.981 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.413 ' O ' ' N ' ' A' ' 34' ' ' CYS . . . -156.13 159.12 38.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.543 0.79 . . . . 0.0 109.277 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.43 ' CG ' ' HB2' ' A' ' 35' ' ' HIS . 39.4 mt-30 -126.05 127.15 45.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 110.252 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -128.37 177.05 7.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 109.282 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -81.73 -58.64 2.48 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.551 1.157 . . . . 0.0 111.014 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.7 mt -57.22 -45.28 83.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.55 0.794 . . . . 0.0 109.309 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.41 ' HA ' ' O ' ' A' ' 43' ' ' THR . 0.7 OUTLIER -146.39 -168.96 3.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.103 . . . . 0.0 108.347 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.443 ' N ' ' O ' ' A' ' 43' ' ' THR . 38.0 t -159.16 144.73 16.17 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.983 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.426 ' HA ' ' CD1' ' A' ' 48' ' ' PHE . 7.8 m -106.72 14.28 27.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.112 . . . . 0.0 108.299 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.44 ' CG ' ' HD2' ' A' ' 36' ' ' PRO . 0.0 OUTLIER -88.05 154.85 52.5 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.451 1.094 . . . . 0.0 109.608 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.44 ' HD2' ' CG ' ' A' ' 35' ' ' HIS . 18.2 Cg_endo -75.0 -18.27 18.86 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.472 1.775 . . . . 0.0 110.999 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.531 ' O ' HD12 ' A' ' 41' ' ' LEU . 21.0 p -82.03 -11.67 58.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 110.381 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.4 ' SG ' ' O ' ' A' ' 35' ' ' HIS . 14.3 p -57.93 -18.94 26.46 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.554 1.159 . . . . 0.0 108.344 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 15.6 t -70.78 -42.62 70.14 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.537 1.148 . . . . 0.0 109.998 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -74.66 -33.4 55.85 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.487 1.117 . . . . 0.0 110.977 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.531 HD12 ' O ' ' A' ' 37' ' ' THR . 1.1 mt -81.47 -54.35 5.52 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 0.762 . . . . 0.0 109.294 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 105.47 37.89 2.53 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.482 1.114 . . . . 0.0 110.981 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.443 ' O ' ' N ' ' A' ' 33' ' ' SER . 41.5 p -118.04 18.39 13.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.557 0.798 . . . . 0.0 110.375 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 61.7 m -61.91 149.27 40.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.456 1.098 . . . . 0.0 108.299 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' CYS . . . . . 0.834 ' SG ' ' SG ' ' A' ' 21' ' ' CYS . 0.8 OUTLIER -86.53 169.2 13.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 108.28 -179.967 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -78.98 -22.64 45.3 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.511 1.132 . . . . 0.0 110.281 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 32.3 p30 -113.01 15.02 19.74 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.285 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.453 ' O ' ' N ' ' A' ' 52' ' ' CYS . 22.6 t80 -68.73 -48.16 64.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.455 1.097 . . . . 0.0 110.997 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.49 ' O ' ' CB ' ' A' ' 53' ' ' LEU . 8.5 mt -73.47 -35.09 65.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 109.273 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.446 ' HA ' HD12 ' A' ' 53' ' ' LEU . 0.1 OUTLIER -58.6 -39.77 81.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 109.303 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.595 ' CD1' ' O ' ' A' ' 22' ' ' SER . 6.3 m-85 -95.58 -22.13 17.81 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 111.038 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' CYS . . . . . 0.471 ' HB3' HD13 ' A' ' 55' ' ' ILE . 1.8 m -128.15 64.63 1.39 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 108.331 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.49 ' CB ' ' O ' ' A' ' 49' ' ' LEU . 0.2 OUTLIER -99.77 28.44 4.73 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.528 1.142 . . . . 0.0 109.254 -179.948 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -177.74 40.88 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.474 1.109 . . . . 0.0 110.317 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.471 HD13 ' HB3' ' A' ' 52' ' ' CYS . 7.2 pt . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 109.313 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.2 t . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 110.037 -0.357 . . . . 0.0 110.037 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.875 ' SG ' ' SG ' ' A' ' 45' ' ' CYS . 70.7 m -126.86 49.2 2.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.46 1.1 . . . . 0.0 108.311 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 15.6 m -83.9 -51.37 7.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 0.0 110.008 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.416 HD23 ' C ' ' A' ' 23' ' ' LEU . 0.5 OUTLIER -112.52 30.76 6.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 109.331 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.716 ' HD2' ' HB3' ' A' ' 27' ' ' ALA . 0.4 OUTLIER -119.31 -92.58 0.53 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.522 1.139 . . . . 0.0 110.276 -179.964 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 62.2 m 59.61 40.21 20.41 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.104 . . . . 0.0 108.273 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 165.3 57.41 0.02 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.454 1.097 . . . . 0.0 111.043 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.716 ' HB3' ' HD2' ' A' ' 24' ' ' ARG . . . -156.2 167.22 31.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 0.777 . . . . 0.0 109.306 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 76.2 mt-30 -126.23 126.96 44.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 110.29 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -128.33 174.64 9.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 109.312 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -81.11 -46.95 6.77 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.485 1.116 . . . . 0.0 110.951 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 25.7 mt -65.96 -32.22 73.58 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.525 0.779 . . . . 0.0 109.287 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.414 ' HA ' ' O ' ' A' ' 43' ' ' THR . 24.9 p -166.76 -168.82 1.2 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 108.283 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 27.7 t -148.59 137.56 21.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.128 . . . . 0.0 110.009 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.423 ' N ' ' O ' ' A' ' 27' ' ' ALA . 13.7 m -100.21 4.21 44.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 108.291 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.513 ' CG ' ' HD2' ' A' ' 36' ' ' PRO . 0.4 OUTLIER -74.93 149.47 85.42 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 109.64 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.513 ' HD2' ' CG ' ' A' ' 35' ' ' HIS . 18.2 Cg_endo -75.05 -1.61 11.47 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.491 1.785 . . . . 0.0 110.993 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 38.1 p -99.93 -3.18 32.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 110.415 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.418 ' O ' ' N ' ' A' ' 42' ' ' GLY . 20.7 p -69.65 -20.72 63.58 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.593 1.183 . . . . 0.0 108.305 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 21.0 p -63.51 -41.87 98.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 110.018 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -73.94 -27.51 66.54 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.465 1.103 . . . . 0.0 110.993 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.408 ' N ' ' CD2' ' A' ' 41' ' ' LEU . 0.1 OUTLIER -83.9 -67.56 0.78 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.496 0.763 . . . . 0.0 109.297 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.418 ' N ' ' O ' ' A' ' 38' ' ' CYS . . . 117.72 39.63 0.76 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.508 1.13 . . . . 0.0 110.965 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.414 ' O ' ' HA ' ' A' ' 32' ' ' CYS . 20.2 p -119.14 -3.28 10.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 0.771 . . . . 0.0 110.374 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' CYS . . . . . 0.416 ' HB3' ' CD2' ' A' ' 48' ' ' PHE . 20.7 m -42.7 143.7 0.66 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 108.296 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' CYS . . . . . 0.875 ' SG ' ' SG ' ' A' ' 21' ' ' CYS . 1.9 m -72.51 160.63 31.97 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.553 1.158 . . . . 0.0 108.31 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -69.64 -23.2 63.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.45 1.094 . . . . 0.0 110.299 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -112.87 19.59 17.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.328 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.463 ' O ' ' N ' ' A' ' 52' ' ' CYS . 23.2 t80 -66.91 -48.09 69.76 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 111.024 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.586 HD23 ' O ' ' A' ' 52' ' ' CYS . 11.0 mt -73.52 -30.67 63.25 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.52 1.138 . . . . 0.0 109.287 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -58.73 -33.6 70.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 109.289 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.464 ' CB ' ' O ' ' A' ' 21' ' ' CYS . 37.2 m-85 -107.9 -17.88 13.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.451 1.094 . . . . 0.0 111.001 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' CYS . . . . . 0.586 ' O ' HD23 ' A' ' 49' ' ' LEU . 2.0 m -127.22 66.84 1.29 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.118 . . . . 0.0 108.308 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -107.03 29.85 6.7 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 0.0 109.279 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -177.88 38.96 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 110.31 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 6.0 pt . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.537 1.148 . . . . 0.0 109.284 -179.98 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 4.2 t . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.993 -0.373 . . . . 0.0 109.993 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.791 ' SG ' ' SG ' ' A' ' 45' ' ' CYS . 72.5 m -126.52 45.6 2.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 108.334 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.499 ' HA ' ' CG ' ' A' ' 51' ' ' TYR . 43.7 p -81.44 -51.68 8.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 110.011 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -109.22 32.53 4.89 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 109.302 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.719 ' HD2' ' HB3' ' A' ' 27' ' ' ALA . 0.3 OUTLIER -124.45 -93.8 0.5 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.101 . . . . 0.0 110.298 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 47.0 m 59.42 40.16 21.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 108.305 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' GLY . . . . . 0.412 ' N ' ' O ' ' A' ' 34' ' ' CYS . . . 165.36 56.04 0.02 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.531 1.144 . . . . 0.0 111.007 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.719 ' HB3' ' HD2' ' A' ' 24' ' ' ARG . . . -154.62 167.76 29.04 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.509 0.77 . . . . 0.0 109.308 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -126.31 126.93 44.75 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.562 1.164 . . . . 0.0 110.315 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -128.4 177.08 7.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.311 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -83.88 -55.31 2.84 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.53 1.144 . . . . 0.0 110.978 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -58.88 -41.57 87.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 0.753 . . . . 0.0 109.299 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.45 ' SG ' ' N ' ' A' ' 33' ' ' SER . 1.1 p -150.13 -161.72 1.4 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 108.319 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.45 ' N ' ' SG ' ' A' ' 32' ' ' CYS . 9.2 t -160.78 137.99 9.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.155 . . . . 0.0 110.017 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.412 ' O ' ' N ' ' A' ' 26' ' ' GLY . 10.3 m -103.4 25.28 9.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 108.329 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.524 ' CG ' ' HD2' ' A' ' 36' ' ' PRO . 0.1 OUTLIER -101.54 152.78 38.11 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 109.65 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.524 ' HD2' ' CG ' ' A' ' 35' ' ' HIS . 18.3 Cg_endo -75.0 -0.96 10.61 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.555 1.818 . . . . 0.0 111.002 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.764 ' O ' HD12 ' A' ' 41' ' ' LEU . 4.4 p -102.21 6.06 40.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 110.391 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.435 ' O ' ' N ' ' A' ' 42' ' ' GLY . 19.3 p -68.12 -20.49 64.92 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.469 1.105 . . . . 0.0 108.317 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -70.07 -44.01 70.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 109.957 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -70.2 -32.17 68.98 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.47 1.106 . . . . 0.0 110.979 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.764 HD12 ' O ' ' A' ' 37' ' ' THR . 1.3 mt -84.67 -63.75 1.28 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.542 0.789 . . . . 0.0 109.291 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.435 ' N ' ' O ' ' A' ' 38' ' ' CYS . . . 115.05 37.65 1.11 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.544 1.153 . . . . 0.0 111.017 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.443 ' O ' ' N ' ' A' ' 33' ' ' SER . 61.5 p -123.42 27.28 7.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 0.784 . . . . 0.0 110.343 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 37.0 m -65.99 145.96 55.26 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 108.27 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' CYS . . . . . 0.791 ' SG ' ' SG ' ' A' ' 21' ' ' CYS . 0.0 OUTLIER -88.49 151.36 22.58 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.456 1.097 . . . . 0.0 108.309 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -67.47 -18.48 65.08 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.476 1.11 . . . . 0.0 110.328 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 27.9 p30 -112.98 17.65 18.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 109.278 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.721 ' CZ ' HD11 ' A' ' 55' ' ' ILE . 14.1 t80 -68.99 -48.51 62.93 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.123 . . . . 0.0 111.013 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.693 ' N ' HD13 ' A' ' 49' ' ' LEU . 0.0 OUTLIER -73.96 -30.47 62.54 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 109.321 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -58.05 -37.03 73.63 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 1.135 . . . . 0.0 109.319 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.5 ' CB ' ' O ' ' A' ' 21' ' ' CYS . 36.3 m-85 -106.01 -16.82 14.52 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 111.012 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' CYS . . . . . 0.55 ' HB3' HD13 ' A' ' 55' ' ' ILE . 0.3 OUTLIER -132.98 67.4 1.53 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.558 1.161 . . . . 0.0 108.304 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.41 ' CB ' ' O ' ' A' ' 49' ' ' LEU . 0.5 OUTLIER -98.27 30.68 3.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 109.289 -179.976 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -177.76 40.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.564 1.165 . . . . 0.0 110.304 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.721 HD11 ' CZ ' ' A' ' 48' ' ' PHE . 10.8 pt . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.302 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.3 t . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.991 -0.374 . . . . 0.0 109.991 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.77 ' SG ' ' SG ' ' A' ' 45' ' ' CYS . 57.0 m -124.09 58.11 1.19 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.538 1.149 . . . . 0.0 108.323 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 4.9 t -65.71 -64.77 0.78 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.458 1.099 . . . . 0.0 109.961 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.427 HD23 ' N ' ' A' ' 24' ' ' ARG . 0.4 OUTLIER -116.89 -4.04 11.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 0.0 109.346 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.679 ' HD2' ' HB3' ' A' ' 27' ' ' ALA . 0.4 OUTLIER -60.82 -92.08 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 110.285 -179.954 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 56.9 m 59.76 40.04 20.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.099 . . . . 0.0 108.3 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' GLY . . . . . 0.415 ' N ' ' O ' ' A' ' 34' ' ' CYS . . . 168.1 55.8 0.03 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.448 1.093 . . . . 0.0 110.976 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.679 ' HB3' ' HD2' ' A' ' 24' ' ' ARG . . . -156.2 166.79 32.42 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.484 0.755 . . . . 0.0 109.262 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -126.31 126.94 44.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 110.315 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -128.2 173.57 10.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 109.316 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -78.12 -55.99 3.89 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.508 1.13 . . . . 0.0 110.999 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.507 HD22 ' H ' ' A' ' 31' ' ' LEU . 3.0 mm? -58.6 -47.13 85.37 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 0.77 . . . . 0.0 109.311 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.407 ' HA ' ' O ' ' A' ' 43' ' ' THR . 0.8 OUTLIER -146.03 -168.25 2.94 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.155 . . . . 0.0 108.347 179.978 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.436 ' N ' ' O ' ' A' ' 43' ' ' THR . 22.3 t -154.04 140.98 19.25 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.48 1.112 . . . . 0.0 110.024 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.423 ' N ' ' O ' ' A' ' 27' ' ' ALA . 20.7 m -104.88 27.39 8.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.152 . . . . 0.0 108.269 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.514 ' CG ' ' HD2' ' A' ' 36' ' ' PRO . 0.2 OUTLIER -107.53 150.74 40.49 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.585 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.514 ' HD2' ' CG ' ' A' ' 35' ' ' HIS . 18.1 Cg_endo -75.07 0.14 9.29 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.485 1.781 . . . . 0.0 111.028 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.537 ' O ' HD12 ' A' ' 41' ' ' LEU . 30.4 p -95.17 -7.2 39.86 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.552 1.158 . . . . 0.0 110.413 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.449 ' O ' ' N ' ' A' ' 42' ' ' GLY . 19.7 p -63.98 -20.21 65.72 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.522 1.138 . . . . 0.0 108.306 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 85.6 p -67.22 -41.5 85.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.14 . . . . 0.0 110.002 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -76.05 -33.63 49.46 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.445 1.091 . . . . 0.0 110.965 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.537 HD12 ' O ' ' A' ' 37' ' ' THR . 1.0 OUTLIER -82.65 -68.39 0.71 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 0.749 . . . . 0.0 109.293 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 38' ' ' CYS . . . 120.76 42.05 0.5 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.472 1.108 . . . . 0.0 110.981 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.436 ' O ' ' N ' ' A' ' 33' ' ' SER . 75.4 p -124.21 24.02 8.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 0.771 . . . . 0.0 110.409 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 55.8 m -64.73 147.36 53.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 108.318 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' CYS . . . . . 0.77 ' SG ' ' SG ' ' A' ' 21' ' ' CYS . 0.0 OUTLIER -87.08 161.56 18.07 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.503 1.127 . . . . 0.0 108.312 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -73.52 -26.93 61.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 110.324 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -109.58 16.39 22.23 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.51 1.131 . . . . 0.0 109.339 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.458 ' O ' ' N ' ' A' ' 52' ' ' CYS . 18.6 t80 -68.89 -48.07 64.27 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.533 1.146 . . . . 0.0 111.026 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.452 ' O ' ' CB ' ' A' ' 53' ' ' LEU . 6.5 mt -73.56 -33.81 64.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.123 . . . . 0.0 109.301 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -58.79 -38.95 79.68 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.121 . . . . 0.0 109.313 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.414 ' CB ' ' O ' ' A' ' 21' ' ' CYS . 4.8 m-85 -98.1 -20.79 17.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 0.0 111.024 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' CYS . . . . . 0.458 ' N ' ' O ' ' A' ' 48' ' ' PHE . 1.8 m -126.22 64.29 1.24 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.549 1.155 . . . . 0.0 108.307 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.452 ' CB ' ' O ' ' A' ' 49' ' ' LEU . 0.3 OUTLIER -103.03 30.88 4.53 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 109.281 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -176.76 37.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 110.328 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 6.1 pt . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 0.0 109.312 -179.985 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.969 -0.382 . . . . 0.0 109.969 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.776 ' SG ' ' SG ' ' A' ' 45' ' ' CYS . 61.9 m -123.9 54.78 1.3 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.142 . . . . 0.0 108.325 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 38.8 t -64.8 -62.87 1.3 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.148 . . . . 0.0 110.007 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.565 HD12 ' N ' ' A' ' 24' ' ' ARG . 3.9 pp -110.6 -23.0 11.34 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 0.0 109.273 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.729 ' HD2' ' HB3' ' A' ' 27' ' ' ALA . 0.3 OUTLIER -44.17 -94.32 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.146 . . . . 0.0 110.344 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 33.5 m 59.22 40.12 21.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 108.291 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' GLY . . . . . 0.434 ' N ' ' O ' ' A' ' 34' ' ' CYS . . . 166.39 54.76 0.03 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.527 1.142 . . . . 0.0 110.967 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.729 ' HB3' ' HD2' ' A' ' 24' ' ' ARG . . . -154.03 165.73 35.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 0.744 . . . . 0.0 109.296 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 31.9 mt-30 -126.14 126.99 45.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.441 1.088 . . . . 0.0 110.344 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -128.33 176.52 7.63 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.289 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -83.1 -51.33 4.22 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.441 1.088 . . . . 0.0 111.01 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.4 -38.46 89.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 0.756 . . . . 0.0 109.317 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.433 ' SG ' ' N ' ' A' ' 33' ' ' SER . 1.1 p -154.27 -161.99 1.33 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.109 . . . . 0.0 108.345 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.435 ' N ' ' O ' ' A' ' 43' ' ' THR . 27.5 t -161.19 137.37 8.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 109.99 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.446 ' N ' ' O ' ' A' ' 27' ' ' ALA . 19.2 m -102.6 28.62 5.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.551 1.157 . . . . 0.0 108.299 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.521 ' CG ' ' HD2' ' A' ' 36' ' ' PRO . 0.1 OUTLIER -109.78 152.68 43.06 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.125 . . . . 0.0 109.56 -179.969 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.521 ' HD2' ' CG ' ' A' ' 35' ' ' HIS . 18.3 Cg_endo -74.95 -3.34 13.77 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.505 1.792 . . . . 0.0 111.024 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.671 ' O ' HD12 ' A' ' 41' ' ' LEU . 30.9 p -93.07 0.75 57.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 0.0 110.36 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.439 ' O ' ' N ' ' A' ' 42' ' ' GLY . 22.2 p -74.42 -13.7 60.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 108.287 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 6.3 t -70.88 -42.28 70.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.144 . . . . 0.0 109.988 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -75.96 -34.07 48.63 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.513 1.133 . . . . 0.0 111.013 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.671 HD12 ' O ' ' A' ' 37' ' ' THR . 1.6 mt -82.31 -59.82 2.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 0.776 . . . . 0.0 109.315 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.439 ' N ' ' O ' ' A' ' 38' ' ' CYS . . . 110.79 32.54 2.64 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.504 1.128 . . . . 0.0 111.022 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.435 ' O ' ' N ' ' A' ' 33' ' ' SER . 47.0 p -110.64 21.21 16.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 0.768 . . . . 0.0 110.365 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 39.5 m -63.69 146.65 53.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 108.27 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' CYS . . . . . 0.776 ' SG ' ' SG ' ' A' ' 21' ' ' CYS . 0.4 OUTLIER -84.41 167.76 16.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.107 . . . . 0.0 108.253 -179.962 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -77.54 -25.59 50.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 110.325 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.6 p30 -112.9 15.05 19.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.266 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.466 ' O ' ' N ' ' A' ' 52' ' ' CYS . 13.4 t80 -69.1 -48.2 63.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 110.977 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.495 ' O ' ' CB ' ' A' ' 53' ' ' LEU . 10.0 mt -73.68 -35.82 65.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 109.336 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.442 ' HA ' HD12 ' A' ' 53' ' ' LEU . 0.3 OUTLIER -58.76 -40.76 84.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 109.362 179.964 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -94.06 -22.87 18.24 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 110.985 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' CYS . . . . . 0.506 ' HB3' HG21 ' A' ' 55' ' ' ILE . 1.0 OUTLIER -128.52 64.72 1.42 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 108.275 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.495 ' CB ' ' O ' ' A' ' 49' ' ' LEU . 0.2 OUTLIER -97.45 12.83 31.93 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.452 1.095 . . . . 0.0 109.298 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -163.34 45.79 0.12 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.463 1.102 . . . . 0.0 110.306 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.506 HG21 ' HB3' ' A' ' 52' ' ' CYS . 6.8 pt . . . . . 0 C--N 1.324 -0.513 0 O-C-N 124.532 1.145 . . . . 0.0 109.31 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.1 m . . . . . 0 N--CA 1.454 -0.266 0 N-CA-C 109.979 -0.378 . . . . 0.0 109.979 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 20.4 m -94.76 73.43 3.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 108.346 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.5 -36.52 76.57 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.458 1.099 . . . . 0.0 109.964 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.897 HD22 ' O ' ' A' ' 23' ' ' LEU . 0.0 OUTLIER -167.94 32.13 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 0.0 109.303 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 17.0 mmm180 -90.71 -70.71 0.66 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 110.277 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 95.3 m 58.71 21.42 8.85 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 108.322 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 177.49 74.17 0.06 OUTLIER Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.447 1.092 . . . . 0.0 111.006 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -160.21 153.43 21.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.456 0.739 . . . . 0.0 109.351 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 28.7 mt-30 -120.57 126.82 51.28 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.132 . . . . 0.0 110.267 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -128.29 178.03 6.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 109.28 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -87.32 -29.18 22.92 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.482 1.114 . . . . 0.0 110.992 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 12.0 mt -86.39 -41.04 14.81 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.471 0.748 . . . . 0.0 109.27 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.401 ' HA ' ' O ' ' A' ' 43' ' ' THR . 0.6 OUTLIER -154.72 -176.95 6.16 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.512 1.132 . . . . 0.0 108.318 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.448 ' N ' ' O ' ' A' ' 43' ' ' THR . 25.9 t -152.02 136.43 16.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 110.044 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.439 ' HA ' ' CD1' ' A' ' 48' ' ' PHE . 23.1 m -97.42 10.52 39.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.458 1.099 . . . . 0.0 108.345 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.525 ' CG ' ' HD2' ' A' ' 36' ' ' PRO . 0.7 OUTLIER -83.9 147.99 52.9 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.125 . . . . 0.0 109.628 179.988 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.525 ' HD2' ' CG ' ' A' ' 35' ' ' HIS . 18.4 Cg_endo -74.93 -5.54 16.93 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.484 1.781 . . . . 0.0 111.052 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 82.2 p -93.77 -4.07 50.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.143 . . . . 0.0 110.407 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.442 ' O ' ' N ' ' A' ' 42' ' ' GLY . 20.7 p -68.23 -17.85 64.41 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.515 1.135 . . . . 0.0 108.317 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 7.7 t -66.33 -44.39 83.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 110.027 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -76.18 -27.99 61.01 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.56 1.162 . . . . 0.0 111.025 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 11.5 mt -82.88 -65.22 1.04 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 0.754 . . . . 0.0 109.288 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.442 ' N ' ' O ' ' A' ' 38' ' ' CYS . . . 116.66 40.34 0.79 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.536 1.148 . . . . 0.0 110.976 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.448 ' O ' ' N ' ' A' ' 33' ' ' SER . 72.8 p -125.41 19.81 8.08 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.511 0.771 . . . . 0.0 110.388 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 60.5 m -63.09 148.74 47.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.146 . . . . 0.0 108.288 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -84.77 164.92 18.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 108.273 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -80.72 -22.58 40.15 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.577 1.173 . . . . 0.0 110.299 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -113.06 12.96 19.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 109.302 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.439 ' CD1' ' HA ' ' A' ' 34' ' ' CYS . 11.1 t80 -67.75 -48.41 66.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 110.983 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.471 ' O ' ' CG ' ' A' ' 53' ' ' LEU . 10.6 mt -73.89 -34.26 64.35 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 109.3 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -62.13 -30.4 71.01 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.464 1.103 . . . . 0.0 109.343 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 6.5 m-85 -100.54 -29.35 12.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 111.039 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' CYS . . . . . 0.475 ' HB3' ' CG2' ' A' ' 55' ' ' ILE . 4.8 m -127.17 71.15 1.31 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 108.263 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.471 ' CG ' ' O ' ' A' ' 49' ' ' LEU . 0.2 OUTLIER -102.31 32.57 3.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.143 . . . . 0.0 109.311 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -172.41 37.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 110.283 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.475 ' CG2' ' HB3' ' A' ' 52' ' ' CYS . 6.9 pt . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 109.308 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 68.2 m . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 110.03 -0.359 . . . . 0.0 110.03 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.911 ' SG ' ' SG ' ' A' ' 45' ' ' CYS . 79.0 m -128.51 40.57 3.63 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 108.276 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.541 ' HA ' ' CD1' ' A' ' 51' ' ' TYR . 1.1 p -73.22 -53.59 10.54 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.454 1.096 . . . . 0.0 109.977 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -111.21 42.3 1.68 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.472 1.107 . . . . 0.0 109.264 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.771 ' HD2' ' HB3' ' A' ' 27' ' ' ALA . 1.0 OUTLIER -132.02 -93.89 0.37 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 110.328 179.953 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 54.2 m 59.19 40.09 22.04 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.45 1.094 . . . . 0.0 108.266 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 165.78 55.45 0.03 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.504 1.128 . . . . 0.0 111.027 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.771 ' HB3' ' HD2' ' A' ' 24' ' ' ARG . . . -156.42 165.21 36.98 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 0.753 . . . . 0.0 109.307 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 98.2 mt-30 -126.19 126.98 44.98 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.535 1.147 . . . . 0.0 110.375 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -128.42 177.58 6.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.15 . . . . 0.0 109.313 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -81.53 -56.38 2.98 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.513 1.133 . . . . 0.0 111.026 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.3 mp -58.6 -47.05 85.64 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 0.754 . . . . 0.0 109.312 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -145.88 -174.39 4.41 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.53 1.144 . . . . 0.0 108.286 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.46 ' N ' ' O ' ' A' ' 43' ' ' THR . 10.5 t -149.13 137.56 20.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.987 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.435 ' N ' ' O ' ' A' ' 27' ' ' ALA . 12.8 m -102.42 22.56 13.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 108.284 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.524 ' CG ' ' HD2' ' A' ' 36' ' ' PRO . 0.1 OUTLIER -99.18 153.31 37.85 Favored Pre-proline 0 C--N 1.324 -0.524 0 O-C-N 124.492 1.12 . . . . 0.0 109.629 179.948 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.524 ' HD2' ' CG ' ' A' ' 35' ' ' HIS . 18.2 Cg_endo -75.06 0.02 9.44 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.546 1.814 . . . . 0.0 110.964 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -96.18 -10.13 28.87 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.539 1.15 . . . . 0.0 110.363 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 14.6 p -52.85 -22.66 5.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 108.293 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -69.73 -44.57 70.01 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 0.0 109.998 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -76.28 -31.87 53.58 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.49 1.119 . . . . 0.0 110.97 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 75.3 mt -81.15 -58.35 3.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 0.745 . . . . 0.0 109.285 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 110.69 27.04 4.52 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.433 1.083 . . . . 0.0 111.034 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.46 ' O ' ' N ' ' A' ' 33' ' ' SER . 46.2 p -118.97 42.66 2.76 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.496 0.763 . . . . 0.0 110.381 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 59.1 m -76.12 148.16 38.04 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.526 1.142 . . . . 0.0 108.326 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' CYS . . . . . 0.911 ' SG ' ' SG ' ' A' ' 21' ' ' CYS . 2.3 m -84.84 155.07 21.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 108.32 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -68.54 -27.74 66.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 110.333 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 6.7 p30 -113.24 17.6 18.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 109.3 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.463 ' O ' ' N ' ' A' ' 52' ' ' CYS . 16.3 t80 -64.83 -48.66 73.55 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.469 1.106 . . . . 0.0 110.977 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.464 ' O ' ' CB ' ' A' ' 53' ' ' LEU . 8.4 mt -74.03 -34.63 64.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 109.309 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -58.87 -37.79 77.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.125 . . . . 0.0 109.268 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.541 ' CD1' ' HA ' ' A' ' 22' ' ' SER . 4.9 m-85 -98.79 -20.51 16.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 111.032 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' CYS . . . . . 0.518 ' HB3' HD13 ' A' ' 55' ' ' ILE . 1.7 m -128.41 65.16 1.4 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 108.263 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.464 ' CB ' ' O ' ' A' ' 49' ' ' LEU . 0.3 OUTLIER -102.88 28.91 5.77 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 109.356 179.934 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -176.68 40.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 110.299 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.518 HD13 ' HB3' ' A' ' 52' ' ' CYS . 11.4 pt . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 0.0 109.302 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 4.5 p . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 109.996 -0.372 . . . . 0.0 109.996 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.961 ' SG ' ' SG ' ' A' ' 45' ' ' CYS . 73.5 m -126.91 48.52 2.18 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.467 1.105 . . . . 0.0 108.316 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.512 ' HB3' HD13 ' A' ' 23' ' ' LEU . 30.4 t -84.33 -46.71 11.48 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.55 1.156 . . . . 0.0 109.971 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.63 ' N ' HD13 ' A' ' 23' ' ' LEU . 0.0 OUTLIER -111.41 32.37 5.42 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.548 1.155 . . . . 0.0 109.272 -179.977 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.755 ' HD2' ' HB3' ' A' ' 27' ' ' ALA . 1.2 mtt180 -124.06 -93.25 0.51 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.491 1.119 . . . . 0.0 110.277 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 74.2 m 59.41 40.32 21.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 108.279 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 166.53 55.37 0.03 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.534 1.146 . . . . 0.0 110.97 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.755 ' HB3' ' HD2' ' A' ' 24' ' ' ARG . . . -156.6 163.49 39.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 0.767 . . . . 0.0 109.255 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 69.5 mt-30 -126.2 126.98 44.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 110.295 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -128.35 177.73 6.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.1 . . . . 0.0 109.239 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -81.13 -59.82 2.36 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.488 1.117 . . . . 0.0 111.004 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.3 mp -54.31 -46.54 72.85 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 0.773 . . . . 0.0 109.322 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.406 ' SG ' ' N ' ' A' ' 33' ' ' SER . 0.7 OUTLIER -146.46 -167.04 2.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 108.274 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.45 ' N ' ' O ' ' A' ' 43' ' ' THR . 18.8 t -155.89 140.61 17.04 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.518 1.136 . . . . 0.0 109.956 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.44 ' N ' ' O ' ' A' ' 27' ' ' ALA . 6.2 m -104.02 28.12 7.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 108.308 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.517 ' CG ' ' HD2' ' A' ' 36' ' ' PRO . 0.2 OUTLIER -109.17 152.07 42.35 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.504 1.127 . . . . 0.0 109.622 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.517 ' HD2' ' CG ' ' A' ' 35' ' ' HIS . 18.3 Cg_endo -75.01 -5.21 16.5 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.484 1.781 . . . . 0.0 111.014 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 41.9 p -86.73 -12.65 47.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.142 . . . . 0.0 110.408 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.447 ' O ' ' N ' ' A' ' 42' ' ' GLY . 22.0 p -60.35 -17.13 41.27 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.517 1.136 . . . . 0.0 108.26 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 6.0 t -70.66 -39.94 73.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.137 . . . . 0.0 110.032 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -76.16 -33.96 47.96 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.557 1.16 . . . . 0.0 110.98 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.2 mt -85.46 -65.7 0.98 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 0.763 . . . . 0.0 109.312 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' ' 38' ' ' CYS . . . 119.89 37.98 0.73 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.541 1.151 . . . . 0.0 111.037 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.45 ' O ' ' N ' ' A' ' 33' ' ' SER . 72.3 p -119.44 30.88 6.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 0.767 . . . . 0.0 110.385 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 56.4 m -70.16 147.66 49.6 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 108.344 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' CYS . . . . . 0.961 ' SG ' ' SG ' ' A' ' 21' ' ' CYS . 2.5 m -81.57 155.86 25.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.138 . . . . 0.0 108.278 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -68.93 -27.94 66.21 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.129 . . . . 0.0 110.294 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 6.8 p30 -113.07 16.89 19.16 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 109.276 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.442 ' O ' ' N ' ' A' ' 52' ' ' CYS . 13.1 t80 -62.95 -48.23 79.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 0.0 110.985 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.454 ' O ' ' CG ' ' A' ' 53' ' ' LEU . 5.3 mt -73.53 -30.91 63.38 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.485 1.116 . . . . 0.0 109.278 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -58.64 -38.3 77.8 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.443 1.09 . . . . 0.0 109.294 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.506 ' CG ' ' HA ' ' A' ' 22' ' ' SER . 34.2 m-85 -101.02 -22.41 14.76 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.518 1.136 . . . . 0.0 111.03 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' CYS . . . . . 0.442 ' N ' ' O ' ' A' ' 48' ' ' PHE . 2.0 m -123.23 65.54 0.99 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.46 1.1 . . . . 0.0 108.318 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.454 ' CG ' ' O ' ' A' ' 49' ' ' LEU . 0.3 OUTLIER -104.29 27.25 7.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 109.34 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -177.08 42.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.555 1.159 . . . . 0.0 110.293 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.419 HD13 ' HB3' ' A' ' 52' ' ' CYS . 7.4 pt . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.492 1.12 . . . . 0.0 109.316 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.968 -0.382 . . . . 0.0 109.968 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 1.041 ' SG ' ' SG ' ' A' ' 45' ' ' CYS . 74.7 m -125.27 48.39 2.03 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.132 . . . . 0.0 108.277 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 10.6 m -82.65 -50.13 9.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.969 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -109.87 41.92 1.61 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.146 . . . . 0.0 109.292 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.81 ' HD2' ' HB3' ' A' ' 27' ' ' ALA . 1.0 OUTLIER -131.81 -93.2 0.38 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.143 . . . . 0.0 110.306 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 93.0 m 59.42 40.24 21.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.15 . . . . 0.0 108.304 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 160.27 60.16 0.01 OUTLIER Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.501 1.126 . . . . 0.0 111.026 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.81 ' HB3' ' HD2' ' A' ' 24' ' ' ARG . . . -156.46 162.43 39.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 0.783 . . . . 0.0 109.345 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 34.4 mt-30 -126.2 127.3 45.47 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.112 . . . . 0.0 110.268 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.49 ' CB ' ' O ' ' A' ' 32' ' ' CYS . 0.2 OUTLIER -128.15 177.25 7.04 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.524 1.14 . . . . 0.0 109.264 -179.964 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -82.56 -46.81 6.25 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.476 1.11 . . . . 0.0 110.963 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 72.4 mt -68.07 -42.59 80.23 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 0.764 . . . . 0.0 109.32 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.49 ' O ' ' CB ' ' A' ' 29' ' ' ASP . 5.7 p -156.54 -179.62 8.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.12 . . . . 0.0 108.266 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 38.7 t -141.6 145.7 35.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.553 1.158 . . . . 0.0 110.03 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.411 ' N ' ' O ' ' A' ' 27' ' ' ALA . 6.9 m -110.04 11.61 23.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.544 1.153 . . . . 0.0 108.272 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.519 ' CG ' ' HD2' ' A' ' 36' ' ' PRO . 0.3 OUTLIER -82.85 149.98 61.02 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 109.597 -179.98 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.519 ' HD2' ' CG ' ' A' ' 35' ' ' HIS . 18.3 Cg_endo -74.96 -0.8 10.4 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.431 1.753 . . . . 0.0 111.012 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 16.8 p -101.06 -6.43 24.41 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.56 1.162 . . . . 0.0 110.392 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.43 ' O ' ' N ' ' A' ' 42' ' ' GLY . 25.7 p -62.47 -21.65 65.63 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.453 1.096 . . . . 0.0 108.282 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -63.6 -40.95 98.23 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.523 1.139 . . . . 0.0 110.018 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -75.53 -26.36 65.68 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.478 1.111 . . . . 0.0 111.027 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.9 mt -86.12 -69.12 0.69 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 0.756 . . . . 0.0 109.283 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.43 ' N ' ' O ' ' A' ' 38' ' ' CYS . . . 119.4 40.39 0.63 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.53 1.144 . . . . 0.0 110.99 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.412 ' O ' ' HA ' ' A' ' 32' ' ' CYS . 12.5 p -126.65 14.47 7.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 0.741 . . . . 0.0 110.352 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 58.5 m -55.59 148.16 16.51 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.133 . . . . 0.0 108.288 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' CYS . . . . . 1.041 ' SG ' ' SG ' ' A' ' 21' ' ' CYS . 4.4 m -77.46 147.89 35.67 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.476 1.11 . . . . 0.0 108.31 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -62.15 -25.86 67.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 110.243 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -111.0 19.27 18.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.561 1.163 . . . . 0.0 109.288 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.586 ' CZ ' HD11 ' A' ' 55' ' ' ILE . 9.2 t80 -62.41 -48.17 80.9 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 0.0 110.997 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.724 ' N ' HD13 ' A' ' 49' ' ' LEU . 0.0 OUTLIER -73.5 -30.59 63.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.131 . . . . 0.0 109.31 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -58.47 -28.37 65.27 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.131 . . . . 0.0 109.293 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.416 ' CB ' ' O ' ' A' ' 21' ' ' CYS . 46.3 m-85 -113.96 -18.66 11.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.132 . . . . 0.0 111.002 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' CYS . . . . . 0.801 ' HB3' HD13 ' A' ' 55' ' ' ILE . 2.2 m -132.34 71.0 1.46 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 108.359 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -101.01 27.3 6.15 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.531 1.144 . . . . 0.0 109.275 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -172.52 55.39 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.5 1.125 . . . . 0.0 110.311 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.801 HD13 ' HB3' ' A' ' 52' ' ' CYS . 5.0 pt . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 0.0 109.283 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 21.4 m . . . . . 0 N--CA 1.452 -0.34 0 N-CA-C 110.02 -0.363 . . . . 0.0 110.02 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 1.037 ' SG ' ' SG ' ' A' ' 45' ' ' CYS . 67.5 m -122.4 61.7 0.98 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 108.316 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.648 ' HB3' HD13 ' A' ' 23' ' ' LEU . 6.0 t -84.72 -57.92 2.93 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 109.997 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.648 HD13 ' HB3' ' A' ' 22' ' ' SER . 0.0 OUTLIER -116.7 26.05 10.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 109.304 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.723 ' HD2' ' HB3' ' A' ' 27' ' ' ALA . 0.7 OUTLIER -102.78 -92.8 0.33 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 0.0 110.293 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 60.9 m 59.61 40.19 20.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.452 1.095 . . . . 0.0 108.259 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 166.43 56.14 0.03 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.464 1.102 . . . . 0.0 111.022 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.723 ' HB3' ' HD2' ' A' ' 24' ' ' ARG . . . -156.28 164.69 38.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 0.765 . . . . 0.0 109.317 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 60.3 mt-30 -126.27 126.92 44.79 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 110.305 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -128.23 175.12 8.69 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 109.286 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -79.82 -54.75 3.8 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.497 1.123 . . . . 0.0 110.976 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.604 HD22 ' H ' ' A' ' 31' ' ' LEU . 2.5 mm? -60.42 -46.64 89.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 0.757 . . . . 0.0 109.278 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.418 ' HA ' ' O ' ' A' ' 43' ' ' THR . 0.8 OUTLIER -145.5 -171.34 3.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 108.339 179.971 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.438 ' N ' ' O ' ' A' ' 43' ' ' THR . 19.4 t -153.28 137.69 16.7 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.454 1.096 . . . . 0.0 109.951 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.437 ' N ' ' O ' ' A' ' 27' ' ' ALA . 12.7 m -102.98 28.36 6.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.567 1.167 . . . . 0.0 108.299 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.518 ' CG ' ' HD2' ' A' ' 36' ' ' PRO . 0.1 OUTLIER -107.42 152.4 41.28 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 109.599 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.518 ' HD2' ' CG ' ' A' ' 35' ' ' HIS . 18.3 Cg_endo -74.98 -0.16 9.63 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.549 1.815 . . . . 0.0 110.984 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 50.7 p -94.63 -11.33 29.53 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.465 1.103 . . . . 0.0 110.389 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.441 ' O ' ' N ' ' A' ' 42' ' ' GLY . 21.0 p -55.35 -20.71 12.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.421 1.076 . . . . 0.0 108.312 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -67.62 -40.14 84.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.449 1.093 . . . . 0.0 109.983 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -75.73 -34.1 49.72 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.46 1.1 . . . . 0.0 111.029 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.1 mt -83.2 -67.72 0.77 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 0.756 . . . . 0.0 109.332 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 38' ' ' CYS . . . 118.07 42.33 0.61 Allowed Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.467 1.104 . . . . 0.0 111.043 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.438 ' O ' ' N ' ' A' ' 33' ' ' SER . 46.9 p -129.22 29.35 5.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.446 0.733 . . . . 0.0 110.38 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 33.7 m -63.37 144.71 56.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 108.288 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' CYS . . . . . 1.037 ' SG ' ' SG ' ' A' ' 21' ' ' CYS . 2.9 m -79.2 145.87 33.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 108.313 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -61.97 -26.24 68.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.565 1.166 . . . . 0.0 110.291 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -111.75 19.74 17.73 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.528 1.143 . . . . 0.0 109.335 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.485 ' CD2' ' CD1' ' A' ' 49' ' ' LEU . 11.4 t80 -66.92 -48.2 69.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 110.982 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.728 ' N ' HD13 ' A' ' 49' ' ' LEU . 0.0 OUTLIER -73.34 -30.3 63.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.318 179.97 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -57.94 -38.78 76.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 0.0 109.31 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.499 ' CB ' ' O ' ' A' ' 21' ' ' CYS . 44.6 m-85 -104.31 -16.56 15.12 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.548 1.155 . . . . 0.0 111.019 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' CYS . . . . . 0.55 ' HB3' HD13 ' A' ' 55' ' ' ILE . 0.4 OUTLIER -132.76 66.44 1.56 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 108.278 179.976 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.44 ' CB ' ' O ' ' A' ' 49' ' ' LEU . 0.4 OUTLIER -97.48 8.9 43.75 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.471 1.107 . . . . 0.0 109.29 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -159.55 46.1 0.26 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 0.0 110.321 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.55 HD13 ' HB3' ' A' ' 52' ' ' CYS . 8.6 pt . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.471 1.107 . . . . 0.0 109.306 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 12.1 p . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 110.017 -0.364 . . . . 0.0 110.017 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.931 ' SG ' ' SG ' ' A' ' 45' ' ' CYS . 86.3 m -126.17 51.16 1.81 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 108.263 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.497 ' HA ' ' CG ' ' A' ' 51' ' ' TYR . 77.1 p -84.83 -47.48 10.32 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 109.956 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -112.41 26.58 10.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 109.272 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.764 ' HD2' ' HB3' ' A' ' 27' ' ' ALA . 1.1 mtt180 -117.43 -94.29 0.5 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.474 1.109 . . . . 0.0 110.299 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 60.3 m 59.43 40.12 21.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 108.309 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 165.63 55.19 0.02 OUTLIER Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.497 1.123 . . . . 0.0 110.992 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.764 ' HB3' ' HD2' ' A' ' 24' ' ' ARG . . . -154.42 166.95 31.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.451 0.736 . . . . 0.0 109.303 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 29.8 mt-30 -126.24 127.18 45.23 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.529 1.143 . . . . 0.0 110.299 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -128.18 173.27 10.25 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 0.0 109.306 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -79.91 -55.13 3.65 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.533 1.145 . . . . 0.0 111.003 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 29.1 mt -60.77 -41.64 95.9 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 0.778 . . . . 0.0 109.269 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -150.44 -170.62 3.7 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.144 . . . . 0.0 108.273 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.449 ' N ' ' O ' ' A' ' 43' ' ' THR . 18.6 t -153.3 139.21 18.1 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.513 1.133 . . . . 0.0 110.008 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 8.7 m -103.4 26.99 7.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 108.301 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.52 ' CG ' ' HD2' ' A' ' 36' ' ' PRO . 0.1 OUTLIER -105.74 151.82 40.0 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.582 -179.974 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.52 ' HD2' ' CG ' ' A' ' 35' ' ' HIS . 18.2 Cg_endo -74.95 -0.06 9.48 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.468 1.773 . . . . 0.0 110.984 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 66.2 p -96.99 -2.27 43.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.106 . . . . 0.0 110.393 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.431 ' O ' ' N ' ' A' ' 42' ' ' GLY . 26.6 p -67.35 -19.06 65.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 108.304 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.6 m -67.5 -41.97 83.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 110.041 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -75.71 -32.26 54.42 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.444 1.09 . . . . 0.0 110.988 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 16.2 mt -82.38 -66.02 0.94 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 0.768 . . . . 0.0 109.333 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.431 ' N ' ' O ' ' A' ' 38' ' ' CYS . . . 116.8 38.45 0.89 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.472 1.108 . . . . 0.0 110.981 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.449 ' O ' ' N ' ' A' ' 33' ' ' SER . 58.9 p -125.56 27.89 6.38 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 0.767 . . . . 0.0 110.43 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 57.2 m -64.47 147.25 53.13 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.461 1.1 . . . . 0.0 108.263 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' CYS . . . . . 0.931 ' SG ' ' SG ' ' A' ' 21' ' ' CYS . 3.9 m -80.38 150.82 29.71 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.48 1.112 . . . . 0.0 108.291 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -65.08 -27.8 69.02 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.477 1.11 . . . . 0.0 110.272 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -110.96 20.82 17.12 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.486 1.116 . . . . 0.0 109.297 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.518 ' CD2' HD13 ' A' ' 49' ' ' LEU . 29.0 t80 -66.07 -48.57 70.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 0.0 110.954 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.691 ' H ' HD22 ' A' ' 49' ' ' LEU . 0.2 OUTLIER -73.75 -30.05 62.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.434 1.084 . . . . 0.0 109.287 -179.966 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -57.77 -40.77 80.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.135 . . . . 0.0 109.313 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.499 ' CB ' ' O ' ' A' ' 21' ' ' CYS . 48.2 m-85 -101.67 -20.96 14.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 110.997 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' CYS . . . . . 0.544 ' HB3' HD13 ' A' ' 55' ' ' ILE . 0.1 OUTLIER -128.14 66.55 1.36 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.111 . . . . 0.0 108.25 -179.951 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.453 ' CB ' ' O ' ' A' ' 49' ' ' LEU . 0.3 OUTLIER -95.81 7.62 45.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.27 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -158.17 48.4 0.37 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 110.297 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.544 HD13 ' HB3' ' A' ' 52' ' ' CYS . 9.1 pt . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.554 1.158 . . . . 0.0 109.322 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 110.021 -0.362 . . . . 0.0 110.021 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.589 ' SG ' ' SG ' ' A' ' 45' ' ' CYS . 37.2 m -128.32 44.5 2.94 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 108.296 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.463 ' HA ' ' CD1' ' A' ' 51' ' ' TYR . 29.0 t -75.3 -1.87 25.63 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.127 . . . . 0.0 110.017 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.497 ' C ' ' CD1' ' A' ' 23' ' ' LEU . 0.1 OUTLIER -168.99 32.52 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 109.34 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.501 ' CB ' ' SG ' ' A' ' 34' ' ' CYS . 1.8 mmm180 -105.38 -92.53 0.37 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.521 1.138 . . . . 0.0 110.294 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 72.6 m 59.63 40.34 20.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 108.289 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 158.35 61.21 0.01 OUTLIER Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.523 1.14 . . . . 0.0 111.043 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.44 ' CB ' ' NE ' ' A' ' 24' ' ' ARG . . . -158.86 155.62 28.13 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.492 0.76 . . . . 0.0 109.245 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 5.0 mm-40 -126.09 126.62 44.49 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.521 1.138 . . . . 0.0 110.307 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -128.63 177.8 6.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.44 1.087 . . . . 0.0 109.268 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -84.31 -50.65 4.21 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.491 1.119 . . . . 0.0 111.017 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -61.78 -43.53 98.68 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.526 0.78 . . . . 0.0 109.296 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.439 ' SG ' ' N ' ' A' ' 33' ' ' SER . 0.9 OUTLIER -150.05 -162.43 1.55 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 108.284 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.439 ' N ' ' SG ' ' A' ' 32' ' ' CYS . 23.3 t -165.25 139.35 4.82 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.508 1.13 . . . . 0.0 110.018 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.544 ' HA ' ' CD1' ' A' ' 48' ' ' PHE . 4.7 m -101.45 12.1 37.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 108.33 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.524 ' CG ' ' HD2' ' A' ' 36' ' ' PRO . 0.1 OUTLIER -83.21 152.32 64.64 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.133 . . . . 0.0 109.617 -179.981 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.524 ' HD2' ' CG ' ' A' ' 35' ' ' HIS . 18.3 Cg_endo -74.98 -19.87 17.47 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.505 1.792 . . . . 0.0 110.993 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.544 ' O ' HD12 ' A' ' 41' ' ' LEU . 10.4 p -83.1 -2.43 55.39 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 110.381 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 15.7 p -64.45 -15.04 59.99 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.466 1.104 . . . . 0.0 108.305 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 98.4 p -70.47 -41.75 72.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.143 . . . . 0.0 109.998 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -76.05 -30.48 57.3 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.505 1.128 . . . . 0.0 110.989 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.544 HD12 ' O ' ' A' ' 37' ' ' THR . 1.4 mt -83.53 -55.83 4.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 0.774 . . . . 0.0 109.272 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 103.81 36.8 3.13 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.545 1.153 . . . . 0.0 110.963 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.432 ' O ' ' N ' ' A' ' 33' ' ' SER . 46.8 p -116.97 18.58 14.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.453 0.737 . . . . 0.0 110.425 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 35.5 m -62.1 146.14 51.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 108.263 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' CYS . . . . . 0.589 ' SG ' ' SG ' ' A' ' 21' ' ' CYS . 0.2 OUTLIER -83.43 168.07 16.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 108.294 179.954 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -78.4 -23.6 46.65 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.53 1.144 . . . . 0.0 110.304 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 6.0 p30 -113.01 9.82 18.74 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.532 1.145 . . . . 0.0 109.295 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.544 ' CD1' ' HA ' ' A' ' 34' ' ' CYS . 6.3 t80 -65.88 -48.34 71.84 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 0.0 111.005 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.493 ' O ' ' CG ' ' A' ' 53' ' ' LEU . 11.0 mt -74.0 -37.33 64.44 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.493 1.121 . . . . 0.0 109.3 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.497 ' HA ' HD12 ' A' ' 53' ' ' LEU . 2.1 t0 -58.85 -33.1 70.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.104 . . . . 0.0 109.298 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.463 ' CD1' ' HA ' ' A' ' 22' ' ' SER . 6.1 m-85 -98.37 -30.01 12.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 111.004 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' CYS . . . . . 0.49 ' HB3' HD13 ' A' ' 55' ' ' ILE . 3.3 m -125.56 69.94 1.18 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.447 1.092 . . . . 0.0 108.308 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.497 HD12 ' HA ' ' A' ' 50' ' ' ASP . 0.2 OUTLIER -102.82 3.13 36.36 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.449 1.093 . . . . 0.0 109.284 -179.974 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -146.37 42.99 1.2 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.125 . . . . 0.0 110.326 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.49 HD13 ' HB3' ' A' ' 52' ' ' CYS . 8.5 pt . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 109.316 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 14.0 m . . . . . 0 N--CA 1.453 -0.325 0 N-CA-C 109.978 -0.379 . . . . 0.0 109.978 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.605 ' SG ' ' SG ' ' A' ' 45' ' ' CYS . 51.5 m -127.19 48.85 2.15 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 0.0 108.254 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 7.1 t -74.67 -52.29 12.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 109.993 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.408 ' C ' ' CD1' ' A' ' 23' ' ' LEU . 0.2 OUTLIER -120.49 37.05 4.38 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.501 1.126 . . . . 0.0 109.316 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.488 ' HD2' ' HB3' ' A' ' 27' ' ' ALA . 1.1 mtt180 -121.04 -93.53 0.52 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 110.282 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 50.5 m 59.31 40.06 21.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 108.297 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 172.87 51.9 0.05 OUTLIER Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.519 1.137 . . . . 0.0 111.006 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.488 ' HB3' ' HD2' ' A' ' 24' ' ' ARG . . . -152.87 164.42 37.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 0.769 . . . . 0.0 109.311 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 45.5 mt-30 -126.23 126.86 44.73 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.118 . . . . 0.0 110.297 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -128.24 177.29 7.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 109.275 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -83.37 -56.24 2.72 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.506 1.129 . . . . 0.0 111.053 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 15.4 mt -57.53 -43.68 84.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 0.777 . . . . 0.0 109.329 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.437 ' SG ' ' N ' ' A' ' 33' ' ' SER . 0.6 OUTLIER -148.14 -165.58 2.3 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 108.286 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.456 ' N ' ' O ' ' A' ' 43' ' ' THR . 5.9 t -157.37 137.26 12.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.542 1.151 . . . . 0.0 109.991 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 33.0 m -100.85 21.93 12.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.554 1.159 . . . . 0.0 108.334 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.526 ' CG ' ' HD2' ' A' ' 36' ' ' PRO . 0.1 OUTLIER -102.1 153.82 37.78 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 0.0 109.602 -179.956 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.526 ' HD2' ' CG ' ' A' ' 35' ' ' HIS . 18.2 Cg_endo -75.03 0.36 9.02 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.474 1.776 . . . . 0.0 110.978 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -93.97 -6.15 46.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 110.421 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.52 ' SG ' ' CE2' ' A' ' 48' ' ' PHE . 9.8 p -54.69 -21.02 9.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 108.29 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -70.1 -44.5 68.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.452 1.095 . . . . 0.0 110.0 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -76.24 -33.2 49.88 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.509 1.131 . . . . 0.0 110.999 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 87.9 mt -80.98 -58.91 2.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 0.77 . . . . 0.0 109.295 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 38' ' ' CYS . . . 107.45 29.56 4.43 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.484 1.115 . . . . 0.0 111.004 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.456 ' O ' ' N ' ' A' ' 33' ' ' SER . 67.7 p -119.02 41.48 3.05 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.446 0.733 . . . . 0.0 110.443 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 25.2 m -73.39 144.29 46.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 108.291 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' CYS . . . . . 0.605 ' SG ' ' SG ' ' A' ' 21' ' ' CYS . 0.8 OUTLIER -84.74 164.08 18.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 108.299 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -73.51 -28.09 61.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 110.307 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -113.04 16.16 19.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.292 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.52 ' CE2' ' SG ' ' A' ' 38' ' ' CYS . 20.8 t80 -68.97 -48.48 63.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 111.003 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.498 ' O ' ' CG ' ' A' ' 53' ' ' LEU . 9.2 mt -74.04 -34.32 64.04 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.509 1.131 . . . . 0.0 109.285 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.455 ' HA ' HD12 ' A' ' 53' ' ' LEU . 2.5 m-20 -58.69 -39.28 80.29 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.484 1.115 . . . . 0.0 109.242 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 -97.12 -23.65 16.12 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.475 1.11 . . . . 0.0 111.031 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' CYS . . . . . 0.651 ' HB3' HD13 ' A' ' 55' ' ' ILE . 1.3 m -125.25 65.64 1.14 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.557 1.161 . . . . 0.0 108.294 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.498 ' CG ' ' O ' ' A' ' 49' ' ' LEU . 0.2 OUTLIER -102.31 17.51 23.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.252 -179.972 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -167.59 42.67 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.522 1.139 . . . . 0.0 110.322 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.651 HD13 ' HB3' ' A' ' 52' ' ' CYS . 6.0 pt . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.12 . . . . 0.0 109.288 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.8 p . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 110.003 -0.369 . . . . 0.0 110.003 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 66.3 m -124.12 57.76 1.21 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 108.297 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.543 ' HA ' ' CD2' ' A' ' 51' ' ' TYR . 23.2 t -77.53 -50.2 13.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 109.997 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.468 HD23 ' C ' ' A' ' 23' ' ' LEU . 0.4 OUTLIER -122.85 27.92 7.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 109.292 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.78 ' HD2' ' HB3' ' A' ' 27' ' ' ALA . 1.2 mtt180 -109.55 -95.58 0.41 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 110.315 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 34.2 m 59.14 38.8 23.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 108.33 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 34' ' ' CYS . . . 165.08 55.44 0.02 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.504 1.128 . . . . 0.0 111.01 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.78 ' HB3' ' HD2' ' A' ' 24' ' ' ARG . . . -151.51 167.71 27.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 0.757 . . . . 0.0 109.261 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -126.14 126.85 44.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.135 . . . . 0.0 110.29 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -128.63 177.43 7.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.44 1.087 . . . . 0.0 109.298 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -83.98 -51.61 3.93 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.481 1.113 . . . . 0.0 111.015 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.7 mp -62.09 -44.91 95.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 0.771 . . . . 0.0 109.306 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.448 ' SG ' ' N ' ' A' ' 33' ' ' SER . 1.7 p -147.24 -159.38 1.02 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 108.322 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.448 ' N ' ' SG ' ' A' ' 32' ' ' CYS . 19.7 t -163.97 137.65 5.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.448 1.092 . . . . 0.0 110.013 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.44 ' O ' ' N ' ' A' ' 26' ' ' GLY . 36.8 m -101.2 28.62 5.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.54 1.15 . . . . 0.0 108.29 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.521 ' CG ' ' HD2' ' A' ' 36' ' ' PRO . 0.2 OUTLIER -108.06 151.15 41.2 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.13 . . . . 0.0 109.605 179.98 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.521 ' HD2' ' CG ' ' A' ' 35' ' ' HIS . 18.1 Cg_endo -75.07 -4.64 15.68 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.49 1.784 . . . . 0.0 110.944 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.722 ' O ' HD12 ' A' ' 41' ' ' LEU . 38.0 p -91.89 -2.42 56.84 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 0.0 110.437 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.423 ' O ' ' N ' ' A' ' 42' ' ' GLY . 28.5 p -69.78 -12.09 61.36 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 108.308 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 12.4 t -71.25 -44.2 65.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 110.014 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -76.07 -34.06 48.12 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.513 1.133 . . . . 0.0 110.969 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.722 HD12 ' O ' ' A' ' 37' ' ' THR . 1.3 mt -81.08 -56.44 4.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 0.762 . . . . 0.0 109.279 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.423 ' N ' ' O ' ' A' ' 38' ' ' CYS . . . 105.21 38.47 2.46 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.526 1.141 . . . . 0.0 111.004 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.439 ' O ' ' N ' ' A' ' 33' ' ' SER . 41.8 p -117.03 20.49 13.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 0.762 . . . . 0.0 110.366 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 39.5 m -63.26 146.62 53.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.106 . . . . 0.0 108.314 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -82.98 166.18 19.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 108.267 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -75.57 -28.13 58.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.139 . . . . 0.0 110.312 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -113.07 16.84 19.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 109.297 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.465 ' O ' ' N ' ' A' ' 52' ' ' CYS . 15.5 t80 -68.18 -48.12 66.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 111.026 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.479 ' O ' ' CB ' ' A' ' 53' ' ' LEU . 6.4 mt -73.63 -36.52 65.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 0.0 109.239 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.444 ' HA ' HD12 ' A' ' 53' ' ' LEU . 1.1 m-20 -58.8 -39.33 80.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 109.32 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.543 ' CD2' ' HA ' ' A' ' 22' ' ' SER . 8.0 m-85 -93.82 -25.34 17.41 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.457 1.098 . . . . 0.0 111.017 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' CYS . . . . . 0.468 ' HB3' HG21 ' A' ' 55' ' ' ILE . 1.8 m -125.96 65.32 1.2 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.45 1.094 . . . . 0.0 108.291 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.479 ' CB ' ' O ' ' A' ' 49' ' ' LEU . 0.3 OUTLIER -99.73 30.08 3.82 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.14 . . . . 0.0 109.295 179.975 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 -174.48 39.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.453 1.096 . . . . 0.0 110.311 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.468 HG21 ' HB3' ' A' ' 52' ' ' CYS . 5.4 pt . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.446 1.092 . . . . 0.0 109.258 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.998 -0.371 . . . . 0.0 109.998 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.674 ' SG ' ' SG ' ' A' ' 45' ' ' CYS . 65.8 m -118.53 54.05 0.96 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.137 . . . . 0.0 108.304 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.558 ' HA ' ' CD2' ' A' ' 51' ' ' TYR . 58.3 p -55.74 -68.49 0.2 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 109.961 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.8 HD22 ' C ' ' A' ' 23' ' ' LEU . 0.0 OUTLIER -113.6 -13.32 12.75 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.464 1.103 . . . . 0.0 109.309 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.717 ' HD2' ' HB3' ' A' ' 27' ' ' ALA . 0.4 OUTLIER -50.03 -94.2 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.504 1.127 . . . . 0.0 110.333 -179.969 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 57.8 m 59.16 40.05 22.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.141 . . . . 0.0 108.346 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' GLY . . . . . 0.437 ' N ' ' O ' ' A' ' 34' ' ' CYS . . . 166.79 54.49 0.03 OUTLIER Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.524 1.14 . . . . 0.0 110.994 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.717 ' HB3' ' HD2' ' A' ' 24' ' ' ARG . . . -152.78 167.32 29.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 0.779 . . . . 0.0 109.334 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 53.8 mt-30 -126.37 126.9 44.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.115 . . . . 0.0 110.276 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -128.34 178.03 6.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.139 . . . . 0.0 109.341 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -84.63 -51.53 3.83 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.517 1.136 . . . . 0.0 111.041 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.665 HD22 ' H ' ' A' ' 31' ' ' LEU . 1.5 mm? -63.21 -46.18 88.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.455 0.738 . . . . 0.0 109.309 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.423 ' SG ' ' N ' ' A' ' 33' ' ' SER . 0.6 OUTLIER -144.05 -167.0 2.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 108.264 179.986 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.432 ' N ' ' O ' ' A' ' 43' ' ' THR . 4.9 t -156.57 136.35 12.52 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 110.007 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.437 ' O ' ' N ' ' A' ' 26' ' ' GLY . 19.9 m -104.23 21.99 15.58 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.447 1.092 . . . . 0.0 108.266 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.518 ' CG ' ' HD2' ' A' ' 36' ' ' PRO . 0.1 OUTLIER -95.64 153.16 39.49 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.115 . . . . 0.0 109.572 -179.993 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.518 ' HD2' ' CG ' ' A' ' 35' ' ' HIS . 18.3 Cg_endo -75.0 -16.11 20.37 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.472 1.775 . . . . 0.0 110.989 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.596 ' O ' HD12 ' A' ' 41' ' ' LEU . 51.9 p -94.17 7.46 45.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 110.421 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 18.7 p -70.31 -18.28 63.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 108.281 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 58.6 p -71.25 -37.82 71.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.546 1.154 . . . . 0.0 110.034 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -75.73 -23.22 73.15 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.486 1.116 . . . . 0.0 111.03 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.596 HD12 ' O ' ' A' ' 37' ' ' THR . 1.6 mt -92.81 -51.66 4.98 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.532 0.783 . . . . 0.0 109.314 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 102.75 35.46 3.76 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.486 1.116 . . . . 0.0 110.983 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.432 ' O ' ' N ' ' A' ' 33' ' ' SER . 38.7 p -117.69 15.08 14.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 0.777 . . . . 0.0 110.341 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 59.9 m -59.16 148.57 31.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 108.284 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' CYS . . . . . 0.674 ' SG ' ' SG ' ' A' ' 21' ' ' CYS . 0.0 OUTLIER -86.46 161.85 18.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 108.26 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -73.29 -23.18 60.26 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.418 1.074 . . . . 0.0 110.276 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -112.15 15.37 20.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.125 . . . . 0.0 109.278 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.47 ' O ' ' N ' ' A' ' 52' ' ' CYS . 19.7 t80 -69.0 -48.16 63.77 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 0.0 111.05 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.478 ' O ' ' CB ' ' A' ' 53' ' ' LEU . 5.8 mt -73.82 -37.16 64.95 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.536 1.148 . . . . 0.0 109.289 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -58.81 -40.0 82.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.12 . . . . 0.0 109.321 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.558 ' CD2' ' HA ' ' A' ' 22' ' ' SER . 16.7 m-85 -92.71 -25.77 18.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.143 . . . . 0.0 110.994 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' CYS . . . . . 0.47 ' N ' ' O ' ' A' ' 48' ' ' PHE . 1.7 m -124.98 64.57 1.13 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 108.323 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.478 ' CB ' ' O ' ' A' ' 49' ' ' LEU . 0.3 OUTLIER -98.97 30.51 3.36 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.56 1.162 . . . . 0.0 109.282 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -168.94 31.61 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.448 1.093 . . . . 0.0 110.302 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.412 HG21 ' HB3' ' A' ' 52' ' ' CYS . 6.4 pt . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 109.331 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.004 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.1 m -167.96 156.86 9.38 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.482 0.754 . . . . 0.0 110.016 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -134.83 -58.61 0.81 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 110.007 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 55.86 -170.3 2.21 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.517 1.136 . . . . 0.0 110.963 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -135.27 -59.59 0.77 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 0.755 . . . . 0.0 109.963 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.3 t 66.83 145.98 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.479 1.112 . . . . 0.0 109.974 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 179.07 132.68 1.79 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.52 1.138 . . . . 0.0 111.032 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 2.1 pt -141.17 85.83 11.77 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.483 0.754 . . . . 0.0 109.3 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 129.46 12.41 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.502 1.791 . . . . 0.0 111.023 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -93.05 161.02 25.3 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.462 1.101 . . . . 0.0 111.006 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 177.46 8.54 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.52 1.8 . . . . 0.0 111.003 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -103.47 126.26 8.74 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.431 1.082 . . . . 0.0 110.975 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 32.0 m-85 -81.37 -56.54 3.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.556 0.797 . . . . 0.0 111.004 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 16.2 m 60.29 93.57 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 0.0 110.36 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -91.76 -63.61 1.23 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 109.306 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 118.37 -161.56 13.51 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.503 1.127 . . . . 0.0 110.976 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -54.12 113.15 1.14 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.447 0.734 . . . . 0.0 109.252 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 3.1 mm-40 -157.17 174.26 15.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 110.319 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 106.17 71.47 0.79 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.524 1.14 . . . . 0.0 111.011 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 6.4 p -125.43 150.96 46.82 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 0.76 . . . . 0.0 110.012 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.809 ' SG ' ' SG ' ' A' ' 45' ' ' CYS . 69.5 m -125.56 53.05 1.58 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.431 1.082 . . . . 0.0 108.311 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 17.0 p -83.63 -47.38 11.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 110.003 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.449 HD23 ' C ' ' A' ' 23' ' ' LEU . 0.4 OUTLIER -120.95 29.75 7.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 109.327 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.718 ' HD2' ' HB3' ' A' ' 27' ' ' ALA . 1.0 OUTLIER -114.71 -93.37 0.49 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.455 1.097 . . . . 0.0 110.277 -179.962 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 35.2 m 59.5 40.11 20.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 108.308 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 166.75 55.38 0.03 OUTLIER Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.489 1.118 . . . . 0.0 110.991 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.718 ' HB3' ' HD2' ' A' ' 24' ' ' ARG . . . -154.4 164.06 39.21 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.515 0.774 . . . . 0.0 109.335 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.42 HE21 ' CG ' ' A' ' 35' ' ' HIS . 83.8 mt-30 -126.28 127.01 44.93 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.481 1.113 . . . . 0.0 110.345 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 17.9 t0 -128.09 177.82 6.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.142 . . . . 0.0 109.308 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -82.93 -51.45 4.22 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.577 1.173 . . . . 0.0 110.962 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 20.5 mt -62.46 -45.79 91.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 0.768 . . . . 0.0 109.306 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.428 ' SG ' ' N ' ' A' ' 33' ' ' SER . 0.8 OUTLIER -146.02 -164.29 1.93 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.545 1.153 . . . . 0.0 108.331 180.0 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.439 ' N ' ' O ' ' A' ' 43' ' ' THR . 15.2 t -159.7 137.55 10.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.437 1.086 . . . . 0.0 110.014 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.484 ' HA ' ' CD1' ' A' ' 48' ' ' PHE . 19.5 m -102.33 22.85 12.66 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 108.254 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.519 ' CG ' ' HD2' ' A' ' 36' ' ' PRO . 0.1 OUTLIER -101.18 153.41 37.8 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 109.634 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.519 ' HD2' ' CG ' ' A' ' 35' ' ' HIS . 18.3 Cg_endo -74.94 -7.13 18.93 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.505 1.792 . . . . 0.0 111.029 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 72.5 p -87.55 -11.43 48.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 110.436 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.444 ' O ' ' N ' ' A' ' 42' ' ' GLY . 15.5 p -57.48 -19.49 24.75 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.113 . . . . 0.0 108.31 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -69.67 -39.9 76.75 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.491 1.12 . . . . 0.0 110.025 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -75.94 -33.24 51.12 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.484 1.115 . . . . 0.0 111.048 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.2 mt -84.89 -65.79 0.97 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 0.756 . . . . 0.0 109.312 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 38' ' ' CYS . . . 116.8 40.8 0.75 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.527 1.142 . . . . 0.0 111.02 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.439 ' O ' ' N ' ' A' ' 33' ' ' SER . 81.8 p -122.7 26.37 8.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 0.766 . . . . 0.0 110.398 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 21.9 m -64.99 144.21 57.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.15 . . . . 0.0 108.269 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' CYS . . . . . 0.809 ' SG ' ' SG ' ' A' ' 21' ' ' CYS . 0.8 OUTLIER -79.74 161.5 25.71 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.48 1.112 . . . . 0.0 108.273 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.97 -27.29 63.62 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.544 1.152 . . . . 0.0 110.289 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -113.11 14.98 19.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 109.285 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.484 ' CD1' ' HA ' ' A' ' 34' ' ' CYS . 17.0 t80 -68.99 -48.12 63.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.125 . . . . 0.0 111.046 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.498 ' O ' ' CB ' ' A' ' 53' ' ' LEU . 7.8 mt -73.51 -36.06 65.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 109.331 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.522 ' HA ' HD12 ' A' ' 53' ' ' LEU . 0.1 OUTLIER -58.77 -40.16 83.14 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.516 1.135 . . . . 0.0 109.315 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -95.11 -19.57 20.01 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 110.955 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' CYS . . . . . 0.449 ' N ' ' O ' ' A' ' 48' ' ' PHE . 1.5 m -130.75 63.63 1.58 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 108.309 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.522 HD12 ' HA ' ' A' ' 50' ' ' ASP . 0.2 OUTLIER -99.85 14.85 28.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.555 1.159 . . . . 0.0 109.287 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -162.05 42.74 0.14 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.504 1.127 . . . . 0.0 110.306 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.416 HD13 ' HB3' ' A' ' 52' ' ' CYS . 6.7 pt -110.37 -24.55 3.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.498 1.124 . . . . 0.0 109.279 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.5 mp -58.11 155.84 23.31 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 109.34 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 168.97 23.64 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.518 1.799 . . . . 0.0 111.005 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -46.49 138.3 5.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.561 1.163 . . . . 0.0 109.965 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 37.5 t -114.63 86.77 2.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.563 1.165 . . . . 0.0 109.968 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -49.57 177.18 0.03 OUTLIER Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.483 1.114 . . . . 0.0 110.985 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -144.35 145.63 32.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 0.752 . . . . 0.0 110.013 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 2.1 ttm 59.23 117.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 110.99 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 5.1 mtp -141.41 -54.23 0.46 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 0.0 111.012 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -124.87 -101.76 1.37 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.476 1.11 . . . . 0.0 110.993 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 123.89 125.05 2.95 Favored Glycine 0 CA--C 1.531 1.057 0 N-CA-C 110.979 -0.849 . . . . 0.0 110.979 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -154.84 145.7 22.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.537 0.786 . . . . 0.0 109.348 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -139.29 167.13 22.76 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 109.322 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 24.7 t80 -147.27 158.64 44.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.415 1.072 . . . . 0.0 110.953 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 10.3 p -167.3 139.26 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.545 1.153 . . . . 0.0 109.306 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 9.1 p -170.26 145.94 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.14 . . . . 0.0 109.306 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 6.5 tt0 -174.14 122.32 0.3 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.487 1.117 . . . . 0.0 110.293 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 68.2 t60 -163.24 147.96 11.2 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.132 . . . . 0.0 109.601 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 3.1 tt -169.82 130.01 1.0 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 109.335 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 28.4 tttt -170.16 143.35 2.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.135 . . . . 0.0 109.291 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . 2.3 p-90 -175.02 116.32 0.16 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.522 1.139 . . . . 0.0 107.98 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -147.34 134.61 20.61 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.538 1.149 . . . . 0.0 110.429 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 26.2 t70 176.81 99.83 0.11 Allowed Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.482 1.114 . . . . 0.0 109.302 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -179.0 4.56 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.5 1.79 . . . . 0.0 111.049 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -150.1 170.5 18.75 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.457 1.098 . . . . 0.0 110.002 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -156.77 92.64 0.13 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.496 1.122 . . . . 0.0 110.982 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 178.4 7.29 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.53 1.805 . . . . 0.0 110.993 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -164.5 176.3 9.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.963 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 1.4 t -151.36 166.94 29.46 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.108 . . . . 0.0 110.046 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.991 0 O-C-N 124.468 1.105 . . . . 0.0 110.976 -179.97 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.994 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 179.17 170.58 0.94 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 0.77 . . . . 0.0 109.959 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 69.5 m -132.12 171.86 13.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 109.976 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -140.15 177.7 20.42 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.42 1.075 . . . . 0.0 111.011 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -154.71 168.84 25.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 0.782 . . . . 0.0 110.014 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -111.07 168.33 9.58 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.462 1.101 . . . . 0.0 109.986 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 138.11 -159.05 25.02 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.495 1.122 . . . . 0.0 111.032 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 42.5 mt 63.81 89.85 0.1 OUTLIER Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.466 0.745 . . . . 0.0 109.273 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -45.95 0.26 Allowed 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.429 1.752 . . . . 0.0 111.026 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 106.55 162.07 22.37 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.538 1.149 . . . . 0.0 111.02 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -167.42 0.42 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.501 1.79 . . . . 0.0 110.96 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -103.71 81.94 0.37 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.511 1.132 . . . . 0.0 110.981 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -174.22 148.92 1.35 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.559 0.799 . . . . 0.0 111.017 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 3.1 m -143.06 -62.88 0.41 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 110.417 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . 41.24 66.2 0.71 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 109.318 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -124.34 -57.43 0.18 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.468 1.105 . . . . 0.0 110.992 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . 61.11 74.1 0.46 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 0.756 . . . . 0.0 109.297 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 6.1 pt20 -114.27 -176.21 2.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 110.332 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 116.47 54.43 0.33 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.488 1.117 . . . . 0.0 111.023 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 39.5 m -128.07 150.94 49.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 0.77 . . . . 0.0 109.983 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.798 ' SG ' ' SG ' ' A' ' 45' ' ' CYS . 46.0 m -124.47 57.09 1.26 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.548 1.155 . . . . 0.0 108.294 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 13.4 m -85.72 -47.52 9.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 109.986 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.456 HD23 ' C ' ' A' ' 23' ' ' LEU . 0.4 OUTLIER -120.58 25.84 9.51 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.506 1.129 . . . . 0.0 109.291 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.678 ' HD2' ' HB3' ' A' ' 27' ' ' ALA . 1.5 mtt180 -108.9 -92.19 0.43 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.446 1.091 . . . . 0.0 110.341 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 65.6 m 59.61 40.11 20.54 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.113 . . . . 0.0 108.32 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 168.61 55.19 0.03 OUTLIER Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.547 1.155 . . . . 0.0 110.973 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.678 ' HB3' ' HD2' ' A' ' 24' ' ' ARG . . . -156.36 164.4 38.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 0.768 . . . . 0.0 109.265 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -126.29 127.01 44.92 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.112 . . . . 0.0 110.317 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -128.17 174.99 8.78 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 109.321 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -79.8 -56.55 3.29 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.466 1.104 . . . . 0.0 110.986 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -57.68 -43.46 85.09 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.488 0.758 . . . . 0.0 109.307 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.415 ' SG ' ' N ' ' A' ' 33' ' ' SER . 0.8 OUTLIER -149.05 -165.3 2.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.113 . . . . 0.0 108.295 -179.96 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.436 ' N ' ' O ' ' A' ' 43' ' ' THR . 22.2 t -158.32 138.22 12.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.14 . . . . 0.0 110.01 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.438 ' N ' ' O ' ' A' ' 27' ' ' ALA . 12.1 m -101.55 23.51 11.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.097 . . . . 0.0 108.315 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.519 ' CG ' ' HD2' ' A' ' 36' ' ' PRO . 0.1 OUTLIER -100.83 152.09 37.76 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.112 . . . . 0.0 109.546 -179.952 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.519 ' HD2' ' CG ' ' A' ' 35' ' ' HIS . 18.2 Cg_endo -75.07 -5.65 17.03 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.469 1.773 . . . . 0.0 110.995 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.576 ' O ' HD12 ' A' ' 41' ' ' LEU . 41.9 p -92.7 -6.9 48.21 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.13 . . . . 0.0 110.386 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.439 ' O ' ' N ' ' A' ' 42' ' ' GLY . 18.5 p -62.29 -17.6 59.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 108.277 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 59.6 p -70.64 -40.82 72.84 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 109.982 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -76.07 -33.87 48.67 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.494 1.121 . . . . 0.0 110.958 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.576 HD12 ' O ' ' A' ' 37' ' ' THR . 1.1 mt -81.95 -57.93 3.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 0.76 . . . . 0.0 109.33 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.439 ' N ' ' O ' ' A' ' 38' ' ' CYS . . . 109.89 34.92 2.28 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.529 1.143 . . . . 0.0 111.02 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.436 ' O ' ' N ' ' A' ' 33' ' ' SER . 62.5 p -116.63 24.17 11.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 0.745 . . . . 0.0 110.402 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 52.2 m -65.99 147.17 53.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 108.3 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' CYS . . . . . 0.798 ' SG ' ' SG ' ' A' ' 21' ' ' CYS . 0.1 OUTLIER -84.46 163.71 19.28 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.468 1.105 . . . . 0.0 108.268 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -75.06 -25.41 58.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 110.299 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -113.01 17.35 18.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 109.327 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.455 ' O ' ' N ' ' A' ' 52' ' ' CYS . 20.2 t80 -69.04 -48.16 63.59 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.469 1.106 . . . . 0.0 110.998 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.453 ' O ' ' CG ' ' A' ' 53' ' ' LEU . 5.3 mt -73.61 -30.97 63.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.552 1.157 . . . . 0.0 109.295 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -58.69 -38.55 78.48 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.538 1.149 . . . . 0.0 109.284 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.488 ' CB ' ' O ' ' A' ' 21' ' ' CYS . 26.8 m-85 -100.89 -22.64 14.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 110.985 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' CYS . . . . . 0.455 ' N ' ' O ' ' A' ' 48' ' ' PHE . 1.8 m -122.57 65.36 0.95 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 108.285 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.453 ' CG ' ' O ' ' A' ' 49' ' ' LEU . 0.3 OUTLIER -104.18 30.53 5.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 0.0 109.323 179.971 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -175.15 37.04 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.464 1.102 . . . . 0.0 110.302 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 6.5 pt -110.29 -25.49 3.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 109.284 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.8 mt -52.83 154.83 4.58 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.527 1.142 . . . . 0.0 109.321 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 173.36 14.64 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.53 1.805 . . . . 0.0 110.978 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 20.9 p -61.78 146.17 50.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 0.0 110.0 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 32.2 t -83.57 133.25 34.87 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.453 1.096 . . . . 0.0 110.0 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -119.41 148.95 18.11 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.504 1.128 . . . . 0.0 111.006 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 56.3 85.17 0.08 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 0.758 . . . . 0.0 109.965 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' MET . . . . . 0.404 ' O ' ' N ' ' A' ' 64' ' ' GLY . 0.0 OUTLIER -81.66 125.75 30.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 110.97 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 67.0 -71.4 0.1 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.46 1.1 . . . . 0.0 110.99 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' GLY . . . . . 0.404 ' N ' ' O ' ' A' ' 62' ' ' MET . . . 137.82 145.43 4.88 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.478 1.111 . . . . 0.0 110.989 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -62.42 138.08 45.19 Favored Glycine 0 CA--C 1.531 1.053 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 2.6 pttt -122.11 145.02 48.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 0.777 . . . . 0.0 109.313 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -115.38 115.66 26.96 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.121 . . . . 0.0 109.348 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 54.0 p90 -69.5 143.55 53.45 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 110.982 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 9.8 p -75.87 144.47 11.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 0.0 109.309 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 8.1 p -136.73 158.97 37.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.124 . . . . 0.0 109.301 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -110.86 165.97 11.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 110.342 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 2.2 t-80 -148.25 173.54 12.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 109.6 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 1.7 pp -156.51 144.65 19.63 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 1.9 tttt -176.75 159.79 1.84 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.444 1.09 . . . . 0.0 109.311 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -126.0 156.7 39.45 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 0.0 108.025 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 53.6 m -141.66 143.64 33.72 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 110.386 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -124.84 145.87 51.29 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.532 1.145 . . . . 0.0 109.265 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 179.92 5.61 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.453 1.765 . . . . 0.0 110.998 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 28.8 p -157.29 168.79 26.34 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.48 1.113 . . . . 0.0 109.975 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 160.94 97.24 0.12 Allowed Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.437 1.085 . . . . 0.0 111.001 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -54.51 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.447 1.762 . . . . 0.0 111.011 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 89.9 p 179.49 166.86 1.11 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.102 . . . . 0.0 110.011 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 12.8 t -111.86 -57.28 2.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 110.015 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.052 0 O-C-N 124.472 1.107 . . . . 0.0 110.978 -179.995 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.969 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -160.37 -58.76 0.06 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 0.745 . . . . 0.0 109.99 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.1 m 58.57 169.18 0.06 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.491 1.119 . . . . 0.0 110.022 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -111.13 175.71 17.95 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.476 1.11 . . . . 0.0 111.006 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.3 t -176.29 156.11 1.57 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.5 0.765 . . . . 0.0 110.034 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.8 m 62.93 155.96 0.05 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.534 1.146 . . . . 0.0 109.996 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -121.43 -135.86 4.88 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.499 1.124 . . . . 0.0 110.985 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 1.3 tt -162.19 87.26 1.48 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.509 0.77 . . . . 0.0 109.29 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 175.97 10.55 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.502 1.791 . . . . 0.0 110.983 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -174.1 75.7 0.08 OUTLIER Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.464 1.102 . . . . 0.0 111.019 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 161.81 38.23 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.498 1.788 . . . . 0.0 110.976 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -179.38 79.81 0.06 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.478 1.111 . . . . 0.0 111.017 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -172.0 133.26 0.71 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 0.773 . . . . 0.0 111.02 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.479 HG23 ' O ' ' A' ' 14' ' ' THR . 6.5 t -157.19 112.48 2.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 110.392 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -137.76 146.71 43.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.102 . . . . 0.0 109.257 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 109.55 -118.73 5.26 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.492 1.12 . . . . 0.0 110.98 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.76 115.47 7.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 0.773 . . . . 0.0 109.299 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -88.49 -71.79 0.57 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.514 1.134 . . . . 0.0 110.327 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -113.43 47.96 0.99 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.497 1.123 . . . . 0.0 110.998 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 34.5 m -122.73 150.97 42.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 0.745 . . . . 0.0 110.029 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.79 ' SG ' ' SG ' ' A' ' 45' ' ' CYS . 64.5 m -124.01 57.12 1.22 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 108.342 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 41.5 p -65.31 -63.75 1.03 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 110.011 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.626 ' C ' HD12 ' A' ' 23' ' ' LEU . 2.6 pp -110.89 -21.54 11.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 109.306 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.724 ' HD2' ' HB3' ' A' ' 27' ' ' ALA . 0.3 OUTLIER -44.53 -94.12 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 110.324 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 41.0 m 59.34 37.94 23.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 108.295 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.439 ' N ' ' O ' ' A' ' 34' ' ' CYS . . . 168.03 56.18 0.03 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.552 1.157 . . . . 0.0 111.004 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.724 ' HB3' ' HD2' ' A' ' 24' ' ' ARG . . . -154.09 169.02 24.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 0.751 . . . . 0.0 109.268 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 18.5 mt-30 -126.15 127.23 45.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.153 . . . . 0.0 110.305 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -128.11 173.1 10.37 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 109.3 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -82.04 -52.52 4.03 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.439 1.087 . . . . 0.0 110.996 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 5.1 mt -63.8 -39.15 93.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.555 0.797 . . . . 0.0 109.291 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.425 ' SG ' ' N ' ' A' ' 33' ' ' SER . 0.8 OUTLIER -150.31 -164.62 2.06 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.464 1.103 . . . . 0.0 108.324 179.973 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.442 ' N ' ' O ' ' A' ' 43' ' ' THR . 11.0 t -160.42 137.23 9.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 110.045 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.439 ' O ' ' N ' ' A' ' 26' ' ' GLY . 13.3 m -102.14 31.27 4.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 108.322 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.521 ' CG ' ' HD2' ' A' ' 36' ' ' PRO . 0.2 OUTLIER -112.24 151.99 44.11 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 109.58 -179.964 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.521 ' HD2' ' CG ' ' A' ' 35' ' ' HIS . 18.3 Cg_endo -74.99 -2.5 12.62 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.514 1.797 . . . . 0.0 111.012 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.492 ' O ' HD12 ' A' ' 41' ' ' LEU . 78.8 p -90.52 -7.86 51.84 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.551 1.157 . . . . 0.0 110.356 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.451 ' O ' ' N ' ' A' ' 42' ' ' GLY . 20.1 p -64.14 -18.32 64.33 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.528 1.143 . . . . 0.0 108.265 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.3 -43.17 78.23 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.118 . . . . 0.0 109.99 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -76.08 -33.97 48.38 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.541 1.151 . . . . 0.0 110.963 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.492 HD12 ' O ' ' A' ' 37' ' ' THR . 1.2 mt -82.81 -68.08 0.73 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.458 0.74 . . . . 0.0 109.279 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.451 ' N ' ' O ' ' A' ' 38' ' ' CYS . . . 118.98 41.77 0.58 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.536 1.148 . . . . 0.0 110.984 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.442 ' O ' ' N ' ' A' ' 33' ' ' SER . 82.8 p -121.98 23.29 10.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.448 0.734 . . . . 0.0 110.387 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 27.4 m -63.28 144.68 56.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.106 . . . . 0.0 108.312 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' CYS . . . . . 0.79 ' SG ' ' SG ' ' A' ' 21' ' ' CYS . 0.8 OUTLIER -82.94 160.59 22.04 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.556 1.16 . . . . 0.0 108.291 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -71.17 -26.51 63.01 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.534 1.146 . . . . 0.0 110.297 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -113.1 15.29 19.55 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 109.305 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.458 ' O ' ' N ' ' A' ' 52' ' ' CYS . 16.4 t80 -69.0 -48.02 64.09 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 110.998 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.493 ' O ' ' CB ' ' A' ' 53' ' ' LEU . 9.0 mt -73.51 -35.85 65.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 109.265 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.43 ' HA ' HD12 ' A' ' 53' ' ' LEU . 1.0 OUTLIER -58.81 -40.73 84.97 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.469 1.106 . . . . 0.0 109.308 -179.967 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -93.85 -22.3 18.73 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.496 1.122 . . . . 0.0 111.026 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' CYS . . . . . 0.503 ' HB3' HG21 ' A' ' 55' ' ' ILE . 1.7 m -128.67 64.21 1.44 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 108.32 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.493 ' CB ' ' O ' ' A' ' 49' ' ' LEU . 0.3 OUTLIER -97.85 13.93 28.86 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.544 1.153 . . . . 0.0 109.241 -179.943 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -157.91 40.67 0.28 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.541 1.151 . . . . 0.0 110.249 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.503 HG21 ' HB3' ' A' ' 52' ' ' CYS . 6.4 pt -110.89 -28.27 2.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.151 . . . . 0.0 109.305 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.1 mp -55.45 155.03 10.69 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.429 1.081 . . . . 0.0 109.278 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -46.83 0.22 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.484 1.781 . . . . 0.0 111.011 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 84.0 p -177.23 154.04 1.01 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.498 1.124 . . . . 0.0 110.004 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 54.3 p -73.2 97.54 2.44 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.54 1.15 . . . . 0.0 110.01 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -74.04 103.58 1.5 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.507 1.129 . . . . 0.0 110.998 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -139.24 92.33 2.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 0.776 . . . . 0.0 109.982 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -71.07 -56.5 6.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 111.008 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 4.0 mtt 46.52 93.13 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.46 1.1 . . . . 0.0 110.997 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -77.37 -145.29 2.16 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.498 1.124 . . . . 0.0 110.995 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 106.91 135.43 7.91 Favored Glycine 0 CA--C 1.53 0.992 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 2.0 mtmt -89.33 148.58 23.45 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.461 0.742 . . . . 0.0 109.242 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -109.82 140.47 43.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.1 . . . . 0.0 109.309 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.468 ' HD1' HG13 ' A' ' 70' ' ' VAL . 0.7 OUTLIER -86.83 145.22 26.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 111.032 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.508 ' O ' HG22 ' A' ' 70' ' ' VAL . 71.3 t -98.57 -67.08 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.543 1.152 . . . . 0.0 109.263 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.508 HG22 ' O ' ' A' ' 69' ' ' VAL . 12.3 m 44.26 -163.98 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 109.325 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 177.39 166.33 0.61 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 110.303 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 4.8 p-80 -146.9 159.46 43.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.125 . . . . 0.0 109.584 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -133.58 176.66 8.34 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.534 1.146 . . . . 0.0 109.287 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.45 175.58 13.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 109.274 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . 15.2 t-105 -147.73 154.81 41.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.122 . . . . 0.0 108.031 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 68.5 p -139.92 176.67 8.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 110.408 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -146.18 124.57 6.36 Favored Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.505 1.128 . . . . 0.0 109.297 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 178.39 7.34 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.475 1.777 . . . . 0.0 111.004 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 59.9 m -134.98 167.74 20.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 110.023 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -156.23 96.36 0.16 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.511 1.132 . . . . 0.0 111.0 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 177.57 8.43 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.511 1.795 . . . . 0.0 111.002 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 24.0 t -142.62 179.04 7.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.123 . . . . 0.0 110.045 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 27.4 p -133.72 173.86 11.06 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 0.0 110.043 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.979 0 O-C-N 124.496 1.122 . . . . 0.0 111.031 179.976 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 59.4 p 43.65 89.09 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.539 0.787 . . . . 0.0 109.964 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 t -177.49 163.42 1.96 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 109.982 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -115.4 53.79 0.6 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.46 1.1 . . . . 0.0 111.0 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.0 t -173.66 118.97 0.28 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 0.766 . . . . 0.0 110.031 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 74.9 p -85.32 81.56 8.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.122 . . . . 0.0 110.014 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 50.76 177.37 0.02 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.473 1.108 . . . . 0.0 110.976 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 3.1 tt 41.65 65.81 4.38 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.495 0.762 . . . . 0.0 109.331 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.93 69.64 5.44 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.524 1.802 . . . . 0.0 110.993 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.48 156.05 7.69 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.541 1.151 . . . . 0.0 111.028 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 158.6 41.99 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.545 1.813 . . . . 0.0 111.019 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -76.54 101.76 1.55 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.487 1.117 . . . . 0.0 111.003 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 8.3 t80 -145.84 117.63 8.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.447 0.733 . . . . 0.0 110.992 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 6.5 m -139.1 91.6 2.53 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.564 1.165 . . . . 0.0 110.443 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -143.4 142.54 31.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.241 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -118.21 -80.33 0.72 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.465 1.103 . . . . 0.0 111.027 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -128.09 119.49 25.47 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.499 0.764 . . . . 0.0 109.296 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 9.1 mp0 -115.56 167.6 10.75 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 110.333 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 118.6 57.89 0.27 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.509 1.131 . . . . 0.0 111.014 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 5.8 p -123.68 150.91 43.7 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 0.77 . . . . 0.0 109.997 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.714 ' SG ' ' SG ' ' A' ' 45' ' ' CYS . 66.1 m -127.02 48.85 2.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 0.0 108.314 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -75.79 -53.85 7.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.14 . . . . 0.0 109.992 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.494 ' N ' HD13 ' A' ' 23' ' ' LEU . 0.0 OUTLIER -117.93 36.28 4.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.554 1.159 . . . . 0.0 109.322 179.975 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.695 ' HD2' ' HB3' ' A' ' 27' ' ' ALA . 0.3 OUTLIER -120.45 -93.68 0.51 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.14 . . . . 0.0 110.274 -179.951 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 51.7 m 59.87 40.04 19.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 108.328 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 166.87 55.44 0.03 OUTLIER Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.487 1.117 . . . . 0.0 111.002 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.695 ' HB3' ' HD2' ' A' ' 24' ' ' ARG . . . -153.63 165.83 34.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 0.758 . . . . 0.0 109.31 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 75.9 mt-30 -126.22 127.02 45.0 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.455 1.097 . . . . 0.0 110.304 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.491 ' CB ' ' O ' ' A' ' 32' ' ' CYS . 0.1 OUTLIER -128.39 177.61 6.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 0.0 109.272 -179.968 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -83.22 -52.28 3.85 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.486 1.116 . . . . 0.0 111.021 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 21.2 mt -63.99 -44.69 91.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 0.775 . . . . 0.0 109.338 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.491 ' O ' ' CB ' ' A' ' 29' ' ' ASP . 0.8 OUTLIER -149.38 -179.77 7.32 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 108.285 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.428 ' N ' ' O ' ' A' ' 43' ' ' THR . 23.0 t -144.66 140.76 28.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.432 1.082 . . . . 0.0 110.005 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.409 ' N ' ' O ' ' A' ' 27' ' ' ALA . 22.2 m -104.33 21.62 16.3 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.559 1.162 . . . . 0.0 108.288 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.523 ' CG ' ' HD2' ' A' ' 36' ' ' PRO . 0.2 OUTLIER -98.66 151.5 37.47 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 0.0 109.577 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.523 ' HD2' ' CG ' ' A' ' 35' ' ' HIS . 18.4 Cg_endo -74.95 -2.22 12.24 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.459 1.768 . . . . 0.0 111.04 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.796 ' O ' HD12 ' A' ' 41' ' ' LEU . 31.7 p -94.48 -8.5 38.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 110.447 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.44 ' O ' ' N ' ' A' ' 42' ' ' GLY . 19.6 p -61.85 -21.52 64.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.115 . . . . 0.0 108.296 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 20.7 t -66.71 -42.06 86.99 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.518 1.136 . . . . 0.0 109.957 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -75.74 -30.32 58.07 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.49 1.119 . . . . 0.0 111.0 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.796 HD12 ' O ' ' A' ' 37' ' ' THR . 1.1 mt -84.35 -68.5 0.71 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 0.757 . . . . 0.0 109.303 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 38' ' ' CYS . . . 120.4 40.03 0.6 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.548 1.155 . . . . 0.0 110.948 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.428 ' O ' ' N ' ' A' ' 33' ' ' SER . 30.8 p -124.74 24.1 7.81 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 0.767 . . . . 0.0 110.399 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 32.2 m -65.44 145.61 55.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 108.271 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' CYS . . . . . 0.714 ' SG ' ' SG ' ' A' ' 21' ' ' CYS . 0.8 OUTLIER -79.54 160.37 26.51 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.556 1.16 . . . . 0.0 108.327 179.947 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -70.7 -26.28 63.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.148 . . . . 0.0 110.298 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 28.1 p30 -113.39 18.85 17.45 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.454 1.096 . . . . 0.0 109.315 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.455 ' O ' ' N ' ' A' ' 52' ' ' CYS . 13.0 t80 -69.33 -48.21 62.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 111.003 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.454 ' O ' ' CB ' ' A' ' 53' ' ' LEU . 5.9 mt -73.66 -35.07 65.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 109.287 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -58.58 -38.96 79.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 109.307 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -97.02 -20.75 17.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.457 1.098 . . . . 0.0 110.982 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' CYS . . . . . 0.455 ' N ' ' O ' ' A' ' 48' ' ' PHE . 1.9 m -127.58 64.13 1.35 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 108.298 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.454 ' CB ' ' O ' ' A' ' 49' ' ' LEU . 0.3 OUTLIER -101.81 31.09 4.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 109.268 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -176.2 37.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 110.294 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 6.8 pt -110.53 -24.64 3.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.454 1.096 . . . . 0.0 109.309 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.3 mt -49.65 154.78 1.58 Allowed Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.526 1.141 . . . . 0.0 109.321 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -55.32 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.497 1.788 . . . . 0.0 110.976 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 4.7 t -176.78 162.01 2.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.125 . . . . 0.0 110.007 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -108.61 81.38 1.45 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 0.0 109.997 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -85.58 -172.91 49.32 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.449 1.093 . . . . 0.0 110.995 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 50.8 m -82.96 173.62 11.63 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.497 0.763 . . . . 0.0 110.021 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 3.7 ptt? -119.03 -36.52 3.39 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 110.944 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 5.6 ttt -152.57 -56.46 0.13 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.139 . . . . 0.0 111.018 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 89.05 -105.59 3.21 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.517 1.135 . . . . 0.0 110.998 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -175.79 -105.51 0.19 Allowed Glycine 0 CA--C 1.53 1.01 0 N-CA-C 110.986 -0.845 . . . . 0.0 110.986 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -128.67 167.6 16.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 0.764 . . . . 0.0 109.303 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -106.49 -58.6 1.9 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.443 1.089 . . . . 0.0 109.286 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -170.9 166.41 7.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.117 . . . . 0.0 110.995 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 63.2 t 63.33 144.53 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.506 1.129 . . . . 0.0 109.32 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 82.6 t -130.51 134.56 62.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.31 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -59.24 170.89 0.84 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.466 1.104 . . . . 0.0 110.281 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 36.9 t-80 -78.5 170.9 15.9 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.11 . . . . 0.0 109.64 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -103.95 177.86 4.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.449 1.093 . . . . 0.0 109.278 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -126.41 147.79 49.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.323 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -51.75 148.61 5.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 107.999 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 2.2 m 59.17 114.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 110.403 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -117.02 122.0 31.86 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.314 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 165.83 30.41 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.493 1.786 . . . . 0.0 110.97 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -169.32 160.73 9.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 109.991 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 160.28 97.27 0.12 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.526 1.141 . . . . 0.0 111.025 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -53.41 0.1 OUTLIER 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.525 1.803 . . . . 0.0 110.943 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 1.3 m 59.41 157.13 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.143 . . . . 0.0 110.005 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -155.87 -58.61 0.1 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.445 1.091 . . . . 0.0 110.001 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.975 0 O-C-N 124.477 1.111 . . . . 0.0 110.996 -179.979 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.021 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 83.3 p -166.21 149.05 7.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 0.768 . . . . 0.0 109.992 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 88.5 p -153.88 170.18 21.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 109.95 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -121.06 -59.64 0.23 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.467 1.105 . . . . 0.0 110.98 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 62.93 171.18 0.15 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.453 0.737 . . . . 0.0 110.028 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -158.63 142.9 15.71 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 0.0 110.008 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -101.99 168.49 19.18 Favored Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.513 1.133 . . . . 0.0 111.055 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.743 HD13 ' H ' ' A' ' 8' ' ' ILE . 0.2 OUTLIER -129.59 154.87 80.93 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.476 0.751 . . . . 0.0 109.328 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 -179.83 5.37 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.462 1.77 . . . . 0.0 111.058 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -152.3 87.45 0.14 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.5 1.125 . . . . 0.0 111.011 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 168.01 25.78 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.463 1.77 . . . . 0.0 110.999 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -149.84 -109.27 0.48 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.467 1.105 . . . . 0.0 110.978 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 93.6 m-85 -128.39 -56.02 1.24 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.466 0.745 . . . . 0.0 111.037 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 18.9 m 54.64 94.32 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.464 1.103 . . . . 0.0 110.396 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -101.57 142.04 33.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.279 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -98.17 88.69 0.91 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.523 1.139 . . . . 0.0 111.003 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -172.44 87.6 0.08 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 0.748 . . . . 0.0 109.307 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.587 ' O ' HD13 ' A' ' 31' ' ' LEU . 0.8 OUTLIER -177.38 162.41 1.89 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.111 . . . . 0.0 110.279 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 142.46 64.28 0.03 OUTLIER Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.45 1.094 . . . . 0.0 111.006 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 9.2 p -128.14 150.98 49.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 0.786 . . . . 0.0 110.034 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.776 ' SG ' ' SG ' ' A' ' 45' ' ' CYS . 62.9 m -126.7 50.39 1.95 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.108 . . . . 0.0 108.302 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 4.1 m -80.71 -50.67 9.6 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.994 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -114.71 34.07 5.0 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.536 1.147 . . . . 0.0 109.315 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.7 ' HD2' ' HB3' ' A' ' 27' ' ' ALA . 0.6 OUTLIER -121.79 -93.43 0.52 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 110.332 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 59.9 m 59.37 40.26 21.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 108.286 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 167.32 54.86 0.03 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.54 1.15 . . . . 0.0 110.965 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.7 ' HB3' ' HD2' ' A' ' 24' ' ' ARG . . . -154.22 166.25 33.73 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.488 0.758 . . . . 0.0 109.312 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.488 ' NE2' ' ND1' ' A' ' 35' ' ' HIS . 3.1 mm-40 -126.17 127.02 45.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.575 1.172 . . . . 0.0 110.255 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -128.22 177.69 6.76 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.515 1.134 . . . . 0.0 109.297 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -83.96 -56.65 2.55 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.489 1.118 . . . . 0.0 110.99 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.587 HD13 ' O ' ' A' ' 18' ' ' GLN . 6.6 mt -58.89 -45.37 90.39 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 0.753 . . . . 0.0 109.315 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -145.48 -170.11 3.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.11 . . . . 0.0 108.268 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.446 ' N ' ' O ' ' A' ' 43' ' ' THR . 7.1 t -153.74 138.22 16.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 0.0 110.028 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 11.7 m -102.3 20.62 16.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 0.0 108.326 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.523 ' CG ' ' HD2' ' A' ' 36' ' ' PRO . 0.1 OUTLIER -95.39 151.63 38.77 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.466 1.104 . . . . 0.0 109.596 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.523 ' HD2' ' CG ' ' A' ' 35' ' ' HIS . 18.5 Cg_endo -74.94 0.15 9.22 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.487 1.783 . . . . 0.0 111.031 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -96.61 -9.0 30.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 110.366 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.442 ' O ' ' N ' ' A' ' 42' ' ' GLY . 12.9 p -52.72 -22.47 5.26 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 108.291 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.36 -44.59 67.79 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 110.035 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -76.22 -33.73 48.35 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.493 1.121 . . . . 0.0 111.015 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 67.9 mt -81.05 -59.56 2.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 0.742 . . . . 0.0 109.275 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.442 ' N ' ' O ' ' A' ' 38' ' ' CYS . . . 112.65 27.94 3.64 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.504 1.128 . . . . 0.0 111.052 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.446 ' O ' ' N ' ' A' ' 33' ' ' SER . 47.2 p -116.86 44.54 2.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 0.758 . . . . 0.0 110.396 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 39.5 m -79.62 146.64 32.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 108.269 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' CYS . . . . . 0.776 ' SG ' ' SG ' ' A' ' 21' ' ' CYS . 1.3 m -86.18 163.27 17.91 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.545 1.153 . . . . 0.0 108.297 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -74.59 -28.07 60.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.113 . . . . 0.0 110.314 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -113.13 18.08 18.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 109.282 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.455 ' O ' ' N ' ' A' ' 52' ' ' CYS . 22.7 t80 -69.05 -48.42 62.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 110.978 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.45 ' O ' ' CB ' ' A' ' 53' ' ' LEU . 4.9 mt -73.76 -31.81 63.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.142 . . . . 0.0 109.292 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -58.74 -39.48 81.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.304 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 22.2 m-85 -99.31 -21.96 15.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 110.984 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' CYS . . . . . 0.476 ' HB3' HD13 ' A' ' 55' ' ' ILE . 1.7 m -124.02 64.94 1.05 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 108.283 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.45 ' CB ' ' O ' ' A' ' 49' ' ' LEU . 0.3 OUTLIER -102.56 29.38 5.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 109.298 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -174.65 38.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 0.0 110.291 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.476 HD13 ' HB3' ' A' ' 52' ' ' CYS . 9.5 pt -110.78 -28.3 2.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 109.262 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 6.3 mt -49.82 156.06 1.34 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.474 1.109 . . . . 0.0 109.29 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -54.96 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.474 1.776 . . . . 0.0 110.996 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 179.05 171.61 0.86 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 110.024 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 93.5 p -146.16 94.37 2.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 109.98 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 118.76 -53.56 0.66 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.487 1.117 . . . . 0.0 110.996 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -42.74 143.42 0.7 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.52 0.776 . . . . 0.0 110.027 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -159.05 150.33 20.29 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.565 1.165 . . . . 0.0 111.031 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -105.84 -30.83 9.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.421 1.076 . . . . 0.0 111.025 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 41.14 -162.74 0.01 OUTLIER Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.46 1.1 . . . . 0.0 111.031 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 107.79 144.59 11.38 Favored Glycine 0 CA--C 1.53 0.977 0 N-CA-C 111.029 -0.829 . . . . 0.0 111.029 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 6.3 tmtt? -172.91 144.7 1.33 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.456 0.739 . . . . 0.0 109.321 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -178.1 155.01 0.91 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.296 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -155.06 146.5 23.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.11 . . . . 0.0 111.009 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 7.5 p -169.91 138.43 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.52 1.138 . . . . 0.0 109.288 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 16.0 m -137.06 177.92 5.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.147 . . . . 0.0 109.296 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 30.2 pt20 -178.31 152.11 0.67 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 110.3 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 29.7 m-70 58.64 166.94 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.564 1.165 . . . . 0.0 109.557 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 23.6 tp -166.33 -65.21 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.298 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.514 ' O ' ' CG ' ' A' ' 75' ' ' TRP . 0.0 OUTLIER -106.16 -61.73 1.47 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 109.264 -179.965 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 75' ' ' TRP . . . . . 0.514 ' CG ' ' O ' ' A' ' 74' ' ' LYS . 37.6 m95 -170.76 174.48 4.9 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.469 1.106 . . . . 0.0 108.039 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.558 ' O ' HG23 ' A' ' 76' ' ' THR . 9.3 t -88.3 64.44 7.61 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.509 1.131 . . . . 0.0 110.402 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 62.47 145.3 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 109.347 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -177.42 3.46 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.505 1.792 . . . . 0.0 111.018 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 50.0 p -41.0 -55.68 2.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.153 . . . . 0.0 110.007 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 85.89 85.49 1.03 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.493 1.12 . . . . 0.0 110.993 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -179.53 5.08 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.493 1.786 . . . . 0.0 111.041 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 54.03 170.76 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.147 . . . . 0.0 110.012 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -174.55 162.65 3.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.537 1.148 . . . . 0.0 110.002 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 O-C-N 124.43 1.081 . . . . 0.0 110.985 179.962 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 77.6 p -175.47 156.79 2.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 0.775 . . . . 0.0 109.987 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 93.5 p -163.97 163.45 23.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.113 . . . . 0.0 110.006 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -132.41 -148.78 6.11 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.496 1.123 . . . . 0.0 110.999 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 66.1 p -179.6 164.1 1.24 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.561 0.8 . . . . 0.0 109.999 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.2 m -158.91 135.13 9.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 110.024 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -134.2 -105.66 0.88 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.497 1.123 . . . . 0.0 110.949 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 2.8 mp 64.26 83.81 0.19 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.481 0.753 . . . . 0.0 109.303 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 141.86 27.14 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.502 1.791 . . . . 0.0 110.998 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -111.88 96.66 0.87 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.46 1.1 . . . . 0.0 110.999 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -50.85 0.12 Allowed 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.423 1.749 . . . . 0.0 110.994 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 73.41 135.72 0.27 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.553 1.158 . . . . 0.0 111.033 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -114.94 151.51 33.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 0.776 . . . . 0.0 110.91 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 14.2 t -140.49 152.55 45.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.135 . . . . 0.0 110.369 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . 46.55 73.27 0.19 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.46 1.1 . . . . 0.0 109.29 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -144.99 -154.94 6.28 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.516 1.135 . . . . 0.0 111.037 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -45.04 135.15 5.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 0.76 . . . . 0.0 109.309 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -89.19 -69.91 0.69 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 110.302 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -129.62 54.29 0.79 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.471 1.107 . . . . 0.0 110.992 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 45.1 t -128.03 150.87 49.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 0.741 . . . . 0.0 110.06 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.834 ' SG ' ' SG ' ' A' ' 45' ' ' CYS . 71.6 m -126.85 48.56 2.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 108.328 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.595 ' O ' ' CD1' ' A' ' 51' ' ' TYR . 0.2 OUTLIER -48.26 -73.3 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 110.046 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.967 ' O ' HD22 ' A' ' 23' ' ' LEU . 0.0 OUTLIER -114.1 -4.43 13.15 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 0.0 109.268 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.613 ' N ' HD13 ' A' ' 23' ' ' LEU . 5.4 mmp_? -46.87 -93.19 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 110.281 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 87.5 m 59.33 40.3 21.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.145 . . . . 0.0 108.298 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 166.1 55.98 0.03 OUTLIER Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.521 1.138 . . . . 0.0 110.981 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.413 ' O ' ' N ' ' A' ' 34' ' ' CYS . . . -156.13 159.12 38.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.543 0.79 . . . . 0.0 109.277 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.43 ' CG ' ' HB2' ' A' ' 35' ' ' HIS . 39.4 mt-30 -126.05 127.15 45.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 110.252 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -128.37 177.05 7.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 109.282 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -81.73 -58.64 2.48 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.551 1.157 . . . . 0.0 111.014 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.7 mt -57.22 -45.28 83.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.55 0.794 . . . . 0.0 109.309 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.41 ' HA ' ' O ' ' A' ' 43' ' ' THR . 0.7 OUTLIER -146.39 -168.96 3.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.103 . . . . 0.0 108.347 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.443 ' N ' ' O ' ' A' ' 43' ' ' THR . 38.0 t -159.16 144.73 16.17 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.983 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.426 ' HA ' ' CD1' ' A' ' 48' ' ' PHE . 7.8 m -106.72 14.28 27.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.112 . . . . 0.0 108.299 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.44 ' CG ' ' HD2' ' A' ' 36' ' ' PRO . 0.0 OUTLIER -88.05 154.85 52.5 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.451 1.094 . . . . 0.0 109.608 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.44 ' HD2' ' CG ' ' A' ' 35' ' ' HIS . 18.2 Cg_endo -75.0 -18.27 18.86 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.472 1.775 . . . . 0.0 110.999 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.531 ' O ' HD12 ' A' ' 41' ' ' LEU . 21.0 p -82.03 -11.67 58.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 110.381 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.4 ' SG ' ' O ' ' A' ' 35' ' ' HIS . 14.3 p -57.93 -18.94 26.46 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.554 1.159 . . . . 0.0 108.344 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 15.6 t -70.78 -42.62 70.14 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.537 1.148 . . . . 0.0 109.998 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -74.66 -33.4 55.85 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.487 1.117 . . . . 0.0 110.977 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.531 HD12 ' O ' ' A' ' 37' ' ' THR . 1.1 mt -81.47 -54.35 5.52 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 0.762 . . . . 0.0 109.294 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 105.47 37.89 2.53 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.482 1.114 . . . . 0.0 110.981 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.443 ' O ' ' N ' ' A' ' 33' ' ' SER . 41.5 p -118.04 18.39 13.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.557 0.798 . . . . 0.0 110.375 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 61.7 m -61.91 149.27 40.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.456 1.098 . . . . 0.0 108.299 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' CYS . . . . . 0.834 ' SG ' ' SG ' ' A' ' 21' ' ' CYS . 0.8 OUTLIER -86.53 169.2 13.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 108.28 -179.967 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -78.98 -22.64 45.3 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.511 1.132 . . . . 0.0 110.281 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 32.3 p30 -113.01 15.02 19.74 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.285 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.453 ' O ' ' N ' ' A' ' 52' ' ' CYS . 22.6 t80 -68.73 -48.16 64.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.455 1.097 . . . . 0.0 110.997 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.49 ' O ' ' CB ' ' A' ' 53' ' ' LEU . 8.5 mt -73.47 -35.09 65.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 109.273 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.446 ' HA ' HD12 ' A' ' 53' ' ' LEU . 0.1 OUTLIER -58.6 -39.77 81.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 109.303 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.595 ' CD1' ' O ' ' A' ' 22' ' ' SER . 6.3 m-85 -95.58 -22.13 17.81 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 111.038 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' CYS . . . . . 0.471 ' HB3' HD13 ' A' ' 55' ' ' ILE . 1.8 m -128.15 64.63 1.39 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 108.331 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.49 ' CB ' ' O ' ' A' ' 49' ' ' LEU . 0.2 OUTLIER -99.77 28.44 4.73 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.528 1.142 . . . . 0.0 109.254 -179.948 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -177.74 40.88 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.474 1.109 . . . . 0.0 110.317 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.471 HD13 ' HB3' ' A' ' 52' ' ' CYS . 7.2 pt -110.05 -25.63 3.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 109.313 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.3 mt -54.03 155.01 6.87 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.137 . . . . 0.0 109.294 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 90.45 1.08 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.515 1.797 . . . . 0.0 111.034 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -129.1 99.97 5.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 0.0 110.007 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 4.3 t -128.74 -59.66 1.13 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 0.0 109.965 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -146.9 -157.93 7.58 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.565 1.165 . . . . 0.0 110.979 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 63.7 p -134.94 102.1 5.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 0.758 . . . . 0.0 110.034 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 10.8 mtm 50.59 88.34 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 111.019 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -102.16 85.75 2.72 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 110.983 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 154.91 -82.71 0.16 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.52 1.138 . . . . 0.0 111.005 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 66.61 96.39 0.03 OUTLIER Glycine 0 CA--C 1.531 1.045 0 N-CA-C 110.946 -0.861 . . . . 0.0 110.946 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 11.9 tttt 60.91 174.47 0.1 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 0.767 . . . . 0.0 109.34 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -155.01 151.34 28.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.57 1.169 . . . . 0.0 109.315 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 26.4 t80 -164.06 155.25 15.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.105 . . . . 0.0 111.002 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 8.2 p -148.93 159.06 6.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 109.354 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 35.2 m -130.14 175.78 10.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 109.336 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 2.2 pt20 -110.0 142.51 41.29 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.542 1.151 . . . . 0.0 110.289 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 178.25 147.39 0.16 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 109.566 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 1.1 tp -171.81 155.03 3.77 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 109.291 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 62.0 tttt -171.48 149.98 2.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.451 1.094 . . . . 0.0 109.316 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . 1.3 t-105 -179.64 139.23 0.14 Allowed 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 10.7 t -134.79 164.01 28.51 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 110.381 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 18.2 t0 -158.24 105.82 1.7 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 109.305 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 178.36 7.37 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.509 1.794 . . . . 0.0 111.016 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -123.37 169.17 11.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 109.99 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -164.21 94.56 0.12 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.445 1.091 . . . . 0.0 110.997 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 178.82 6.76 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.494 1.786 . . . . 0.0 110.973 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 11.5 t -148.09 171.78 15.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 109.989 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 88.2 p -140.72 171.01 14.69 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.538 1.149 . . . . 0.0 109.987 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.991 0 O-C-N 124.509 1.131 . . . . 0.0 111.01 -179.977 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.029 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.9 p -127.08 166.79 16.96 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 0.769 . . . . 0.0 110.02 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.1 m -167.55 166.89 13.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.554 1.158 . . . . 0.0 110.018 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -58.2 140.67 46.4 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.448 1.093 . . . . 0.0 111.034 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 47.2 t -66.82 90.61 0.18 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 0.749 . . . . 0.0 110.031 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.8 m -61.5 169.31 2.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 110.017 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 127.7 86.79 0.55 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.503 1.127 . . . . 0.0 110.978 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 4.3 pt -127.89 81.57 70.08 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.491 0.759 . . . . 0.0 109.31 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 169.78 21.86 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.45 1.763 . . . . 0.0 111.034 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -48.06 -82.71 0.03 OUTLIER Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.505 1.128 . . . . 0.0 111.003 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.03 164.13 33.92 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.568 1.826 . . . . 0.0 110.971 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -82.61 152.02 29.99 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.443 1.089 . . . . 0.0 110.941 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 6.2 t80 -101.43 120.15 39.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.57 0.806 . . . . 0.0 111.05 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 5.0 m -136.3 152.93 51.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 0.0 110.358 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -141.51 156.66 45.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.152 . . . . 0.0 109.283 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 39.69 92.48 0.01 OUTLIER Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.535 1.147 . . . . 0.0 111.04 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -126.36 85.77 2.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 0.754 . . . . 0.0 109.312 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -125.94 -174.59 3.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.112 . . . . 0.0 110.285 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -37.78 99.13 0.01 OUTLIER Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.519 1.137 . . . . 0.0 110.992 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.2 t -122.02 151.06 41.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.541 0.789 . . . . 0.0 110.037 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.875 ' SG ' ' SG ' ' A' ' 45' ' ' CYS . 70.7 m -126.86 49.2 2.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.46 1.1 . . . . 0.0 108.311 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 15.6 m -83.9 -51.37 7.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 0.0 110.008 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.416 HD23 ' C ' ' A' ' 23' ' ' LEU . 0.5 OUTLIER -112.52 30.76 6.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 109.331 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.716 ' HD2' ' HB3' ' A' ' 27' ' ' ALA . 0.4 OUTLIER -119.31 -92.58 0.53 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.522 1.139 . . . . 0.0 110.276 -179.964 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 62.2 m 59.61 40.21 20.41 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.104 . . . . 0.0 108.273 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 165.3 57.41 0.02 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.454 1.097 . . . . 0.0 111.043 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.716 ' HB3' ' HD2' ' A' ' 24' ' ' ARG . . . -156.2 167.22 31.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 0.777 . . . . 0.0 109.306 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 76.2 mt-30 -126.23 126.96 44.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 110.29 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -128.33 174.64 9.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 109.312 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -81.11 -46.95 6.77 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.485 1.116 . . . . 0.0 110.951 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 25.7 mt -65.96 -32.22 73.58 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.525 0.779 . . . . 0.0 109.287 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.414 ' HA ' ' O ' ' A' ' 43' ' ' THR . 24.9 p -166.76 -168.82 1.2 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 108.283 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 27.7 t -148.59 137.56 21.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.128 . . . . 0.0 110.009 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.423 ' N ' ' O ' ' A' ' 27' ' ' ALA . 13.7 m -100.21 4.21 44.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 108.291 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.513 ' CG ' ' HD2' ' A' ' 36' ' ' PRO . 0.4 OUTLIER -74.93 149.47 85.42 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 109.64 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.513 ' HD2' ' CG ' ' A' ' 35' ' ' HIS . 18.2 Cg_endo -75.05 -1.61 11.47 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.491 1.785 . . . . 0.0 110.993 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 38.1 p -99.93 -3.18 32.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 110.415 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.418 ' O ' ' N ' ' A' ' 42' ' ' GLY . 20.7 p -69.65 -20.72 63.58 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.593 1.183 . . . . 0.0 108.305 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 21.0 p -63.51 -41.87 98.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 110.018 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -73.94 -27.51 66.54 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.465 1.103 . . . . 0.0 110.993 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.408 ' N ' ' CD2' ' A' ' 41' ' ' LEU . 0.1 OUTLIER -83.9 -67.56 0.78 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.496 0.763 . . . . 0.0 109.297 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.418 ' N ' ' O ' ' A' ' 38' ' ' CYS . . . 117.72 39.63 0.76 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.508 1.13 . . . . 0.0 110.965 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.414 ' O ' ' HA ' ' A' ' 32' ' ' CYS . 20.2 p -119.14 -3.28 10.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 0.771 . . . . 0.0 110.374 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' CYS . . . . . 0.416 ' HB3' ' CD2' ' A' ' 48' ' ' PHE . 20.7 m -42.7 143.7 0.66 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 108.296 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' CYS . . . . . 0.875 ' SG ' ' SG ' ' A' ' 21' ' ' CYS . 1.9 m -72.51 160.63 31.97 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.553 1.158 . . . . 0.0 108.31 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -69.64 -23.2 63.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.45 1.094 . . . . 0.0 110.299 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -112.87 19.59 17.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.328 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.463 ' O ' ' N ' ' A' ' 52' ' ' CYS . 23.2 t80 -66.91 -48.09 69.76 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 111.024 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.586 HD23 ' O ' ' A' ' 52' ' ' CYS . 11.0 mt -73.52 -30.67 63.25 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.52 1.138 . . . . 0.0 109.287 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -58.73 -33.6 70.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 109.289 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.464 ' CB ' ' O ' ' A' ' 21' ' ' CYS . 37.2 m-85 -107.9 -17.88 13.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.451 1.094 . . . . 0.0 111.001 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' CYS . . . . . 0.586 ' O ' HD23 ' A' ' 49' ' ' LEU . 2.0 m -127.22 66.84 1.29 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.118 . . . . 0.0 108.308 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -107.03 29.85 6.7 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 0.0 109.279 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -177.88 38.96 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 110.31 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 6.0 pt -110.1 -24.83 3.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.537 1.148 . . . . 0.0 109.284 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.408 HD23 ' HA ' ' A' ' 56' ' ' LEU . 34.4 mt -47.77 156.25 0.71 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.115 . . . . 0.0 109.279 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 174.71 12.32 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.499 1.789 . . . . 0.0 111.01 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' SER . . . . . 0.41 ' O ' ' N ' ' A' ' 60' ' ' GLY . 26.7 t -123.31 -57.82 1.65 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 109.985 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 68.65 -65.96 0.26 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.528 1.142 . . . . 0.0 109.986 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.41 ' N ' ' O ' ' A' ' 58' ' ' SER . . . 87.36 -78.77 1.82 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.501 1.126 . . . . 0.0 111.019 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 43.79 91.61 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.476 0.75 . . . . 0.0 110.023 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -76.67 101.11 5.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 111.014 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 54.74 96.81 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.546 1.154 . . . . 0.0 110.975 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -84.34 -100.99 0.6 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.484 1.115 . . . . 0.0 111.022 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -174.21 159.99 29.45 Favored Glycine 0 CA--C 1.53 0.972 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 3.6 tttt -170.44 148.03 3.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 0.758 . . . . 0.0 109.304 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.442 ' O ' ' CB ' ' A' ' 68' ' ' PHE . 0.6 OUTLIER -97.2 -64.06 1.08 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 109.29 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.442 ' CB ' ' O ' ' A' ' 67' ' ' ASP . 1.5 t80 71.57 -60.57 0.51 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 111.018 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 33.7 m -45.58 148.36 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 109.281 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 10.1 p -160.17 134.48 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.491 1.119 . . . . 0.0 109.281 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -150.14 -59.38 0.19 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.522 1.139 . . . . 0.0 110.337 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 -42.14 114.04 0.51 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.129 . . . . 0.0 109.575 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 1.3 tt -165.61 163.15 19.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 109.301 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.485 ' O ' ' CG ' ' A' ' 75' ' ' TRP . 22.1 tttt 65.61 137.52 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 0.0 109.279 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' TRP . . . . . 0.485 ' CG ' ' O ' ' A' ' 74' ' ' LYS . 11.9 m95 -170.43 162.4 8.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 107.959 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 17.0 m 60.58 156.44 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.468 1.105 . . . . 0.0 110.366 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -176.96 160.48 1.52 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 109.338 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 175.1 11.69 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.476 1.777 . . . . 0.0 111.0 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 3.6 m -158.53 -62.86 0.08 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.974 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 115.62 94.93 1.95 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.463 1.102 . . . . 0.0 111.036 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.92 176.17 10.24 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.476 1.777 . . . . 0.0 111.012 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 4.6 t -152.76 -179.8 7.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 109.984 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 82.1 p -150.12 170.48 18.82 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.446 1.091 . . . . 0.0 109.99 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.982 0 O-C-N 124.533 1.145 . . . . 0.0 111.007 -179.99 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.991 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 25.6 p -171.23 166.86 7.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 0.78 . . . . 0.0 109.94 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -155.8 152.88 28.98 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.447 1.092 . . . . 0.0 109.983 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 153.54 -80.4 0.19 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.482 1.114 . . . . 0.0 110.988 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 53.58 103.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 0.781 . . . . 0.0 110.01 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 25.6 p -123.79 108.47 12.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.586 1.179 . . . . 0.0 110.031 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -81.82 -126.16 0.85 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.488 1.118 . . . . 0.0 111.036 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 2.5 pt -128.43 156.15 77.47 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.474 0.749 . . . . 0.0 109.299 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 77.78 3.04 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.465 1.771 . . . . 0.0 111.034 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -126.21 -85.34 0.56 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.517 1.136 . . . . 0.0 110.981 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 148.92 36.12 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.508 1.794 . . . . 0.0 110.971 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -144.76 121.79 1.63 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.512 1.133 . . . . 0.0 111.02 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 28.0 p90 -146.79 157.43 43.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 0.756 . . . . 0.0 110.982 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 16.9 m 60.97 143.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 110.368 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -151.89 172.19 16.59 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.52 1.138 . . . . 0.0 109.292 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -81.09 -136.32 1.87 Allowed Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.508 1.13 . . . . 0.0 111.02 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -139.02 121.34 15.97 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.56 0.8 . . . . 0.0 109.319 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -178.98 172.05 1.32 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.135 . . . . 0.0 110.347 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -177.3 67.77 0.08 OUTLIER Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.463 1.102 . . . . 0.0 111.002 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 4.2 t -111.3 151.13 28.72 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 0.763 . . . . 0.0 109.993 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.791 ' SG ' ' SG ' ' A' ' 45' ' ' CYS . 72.5 m -126.52 45.6 2.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 108.334 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.499 ' HA ' ' CG ' ' A' ' 51' ' ' TYR . 43.7 p -81.44 -51.68 8.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 110.011 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -109.22 32.53 4.89 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 109.302 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.719 ' HD2' ' HB3' ' A' ' 27' ' ' ALA . 0.3 OUTLIER -124.45 -93.8 0.5 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.101 . . . . 0.0 110.298 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 47.0 m 59.42 40.16 21.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 108.305 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.412 ' N ' ' O ' ' A' ' 34' ' ' CYS . . . 165.36 56.04 0.02 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.531 1.144 . . . . 0.0 111.007 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.719 ' HB3' ' HD2' ' A' ' 24' ' ' ARG . . . -154.62 167.76 29.04 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.509 0.77 . . . . 0.0 109.308 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -126.31 126.93 44.75 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.562 1.164 . . . . 0.0 110.315 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -128.4 177.08 7.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.311 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -83.88 -55.31 2.84 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.53 1.144 . . . . 0.0 110.978 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -58.88 -41.57 87.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 0.753 . . . . 0.0 109.299 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.45 ' SG ' ' N ' ' A' ' 33' ' ' SER . 1.1 p -150.13 -161.72 1.4 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 108.319 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.45 ' N ' ' SG ' ' A' ' 32' ' ' CYS . 9.2 t -160.78 137.99 9.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.155 . . . . 0.0 110.017 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.412 ' O ' ' N ' ' A' ' 26' ' ' GLY . 10.3 m -103.4 25.28 9.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 108.329 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.524 ' CG ' ' HD2' ' A' ' 36' ' ' PRO . 0.1 OUTLIER -101.54 152.78 38.11 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 109.65 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.524 ' HD2' ' CG ' ' A' ' 35' ' ' HIS . 18.3 Cg_endo -75.0 -0.96 10.61 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.555 1.818 . . . . 0.0 111.002 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.764 ' O ' HD12 ' A' ' 41' ' ' LEU . 4.4 p -102.21 6.06 40.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 110.391 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.435 ' O ' ' N ' ' A' ' 42' ' ' GLY . 19.3 p -68.12 -20.49 64.92 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.469 1.105 . . . . 0.0 108.317 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -70.07 -44.01 70.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 109.957 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -70.2 -32.17 68.98 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.47 1.106 . . . . 0.0 110.979 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.764 HD12 ' O ' ' A' ' 37' ' ' THR . 1.3 mt -84.67 -63.75 1.28 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.542 0.789 . . . . 0.0 109.291 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.435 ' N ' ' O ' ' A' ' 38' ' ' CYS . . . 115.05 37.65 1.11 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.544 1.153 . . . . 0.0 111.017 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.443 ' O ' ' N ' ' A' ' 33' ' ' SER . 61.5 p -123.42 27.28 7.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 0.784 . . . . 0.0 110.343 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 37.0 m -65.99 145.96 55.26 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 108.27 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' CYS . . . . . 0.791 ' SG ' ' SG ' ' A' ' 21' ' ' CYS . 0.0 OUTLIER -88.49 151.36 22.58 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.456 1.097 . . . . 0.0 108.309 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -67.47 -18.48 65.08 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.476 1.11 . . . . 0.0 110.328 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 27.9 p30 -112.98 17.65 18.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 109.278 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.721 ' CZ ' HD11 ' A' ' 55' ' ' ILE . 14.1 t80 -68.99 -48.51 62.93 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.123 . . . . 0.0 111.013 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.693 ' N ' HD13 ' A' ' 49' ' ' LEU . 0.0 OUTLIER -73.96 -30.47 62.54 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 109.321 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -58.05 -37.03 73.63 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 1.135 . . . . 0.0 109.319 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.5 ' CB ' ' O ' ' A' ' 21' ' ' CYS . 36.3 m-85 -106.01 -16.82 14.52 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 111.012 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' CYS . . . . . 0.55 ' HB3' HD13 ' A' ' 55' ' ' ILE . 0.3 OUTLIER -132.98 67.4 1.53 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.558 1.161 . . . . 0.0 108.304 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.41 ' CB ' ' O ' ' A' ' 49' ' ' LEU . 0.5 OUTLIER -98.27 30.68 3.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 109.289 -179.976 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -177.76 40.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.564 1.165 . . . . 0.0 110.304 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.721 HD11 ' CZ ' ' A' ' 48' ' ' PHE . 10.8 pt -112.66 -31.4 2.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.302 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 8.3 mt -51.87 159.49 1.36 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.283 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 154.85 42.73 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.511 1.795 . . . . 0.0 111.004 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -168.81 83.35 0.15 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.11 . . . . 0.0 109.969 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -134.03 157.91 44.88 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.531 1.144 . . . . 0.0 109.985 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 131.53 -166.72 22.85 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.496 1.123 . . . . 0.0 111.025 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -141.01 116.3 10.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 0.77 . . . . 0.0 109.992 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 1.7 mtm -120.6 122.55 40.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 111.024 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 2.4 ptt? -117.47 168.85 10.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 111.032 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -40.36 -79.45 0.05 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.481 1.113 . . . . 0.0 110.965 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 156.0 122.96 0.79 Allowed Glycine 0 CA--C 1.53 1.021 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 3.6 mttt -122.09 83.96 2.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.541 0.789 . . . . 0.0 109.301 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 13.9 t0 -123.74 118.17 26.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.125 . . . . 0.0 109.313 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 30.9 m-85 -76.02 103.23 5.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 110.986 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 35.7 m -89.66 150.51 3.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 109.281 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 12.9 m -120.6 150.16 23.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.445 1.091 . . . . 0.0 109.349 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 4.9 tt0 -128.32 93.8 3.74 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.542 1.151 . . . . 0.0 110.267 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -63.73 167.01 6.33 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.45 1.094 . . . . 0.0 109.58 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -129.91 140.18 51.0 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.521 1.138 . . . . 0.0 109.31 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.66 160.16 25.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.309 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -130.7 161.66 31.16 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 107.956 -1.127 . . . . 0.0 107.956 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 64.4 p -137.24 175.37 9.67 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.113 . . . . 0.0 110.463 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -139.3 145.78 45.91 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 0.0 109.274 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 -178.52 4.23 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.456 1.766 . . . . 0.0 111.015 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 35.6 m -150.92 169.16 22.41 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.449 1.093 . . . . 0.0 110.008 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -128.81 158.61 21.94 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.507 1.129 . . . . 0.0 111.006 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -173.0 1.41 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.49 1.784 . . . . 0.0 111.048 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 1.9 t -148.89 160.89 42.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.154 . . . . 0.0 109.997 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -83.98 164.62 19.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.974 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 O-C-N 124.516 1.135 . . . . 0.0 110.957 179.964 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 35.1 m -117.57 152.54 34.92 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 0.752 . . . . 0.0 110.006 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -174.64 124.12 0.28 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.573 1.171 . . . . 0.0 109.986 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -143.33 -162.29 9.26 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.498 1.123 . . . . 0.0 111.028 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.1 t -118.4 153.75 33.55 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.533 0.784 . . . . 0.0 110.02 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 178.1 152.87 0.3 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.458 1.099 . . . . 0.0 110.021 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -81.88 127.26 7.84 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.559 1.162 . . . . 0.0 110.981 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.519 ' N ' ' CD ' ' A' ' 9' ' ' PRO . 0.8 OUTLIER -70.01 -51.89 13.81 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.524 0.779 . . . . 0.0 109.318 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.519 ' CD ' ' N ' ' A' ' 8' ' ' ILE . 18.2 Cg_endo -75.02 142.21 27.52 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.524 1.802 . . . . 0.0 110.964 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -109.91 158.12 14.67 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.539 1.149 . . . . 0.0 111.005 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 56.88 4.35 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.445 1.76 . . . . 0.0 111.014 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -73.77 148.36 39.85 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.535 1.147 . . . . 0.0 111.014 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 55.5 t80 -46.4 -49.4 18.04 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.562 0.801 . . . . 0.0 111.024 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 15.5 m -156.88 -59.76 0.09 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 110.37 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -159.95 -60.51 0.06 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.153 . . . . 0.0 109.271 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 85.93 -163.37 36.38 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.47 1.107 . . . . 0.0 111.033 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -127.54 136.96 52.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 0.78 . . . . 0.0 109.305 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -171.52 -61.98 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.103 . . . . 0.0 110.31 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -66.11 75.84 0.12 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.451 1.094 . . . . 0.0 110.986 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.3 t -128.07 150.87 49.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 0.748 . . . . 0.0 109.991 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.77 ' SG ' ' SG ' ' A' ' 45' ' ' CYS . 57.0 m -124.09 58.11 1.19 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.538 1.149 . . . . 0.0 108.323 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 4.9 t -65.71 -64.77 0.78 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.458 1.099 . . . . 0.0 109.961 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.427 HD23 ' N ' ' A' ' 24' ' ' ARG . 0.4 OUTLIER -116.89 -4.04 11.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 0.0 109.346 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.679 ' HD2' ' HB3' ' A' ' 27' ' ' ALA . 0.4 OUTLIER -60.82 -92.08 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 110.285 -179.954 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 56.9 m 59.76 40.04 20.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.099 . . . . 0.0 108.3 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.415 ' N ' ' O ' ' A' ' 34' ' ' CYS . . . 168.1 55.8 0.03 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.448 1.093 . . . . 0.0 110.976 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.679 ' HB3' ' HD2' ' A' ' 24' ' ' ARG . . . -156.2 166.79 32.42 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.484 0.755 . . . . 0.0 109.262 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -126.31 126.94 44.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 110.315 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -128.2 173.57 10.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 109.316 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -78.12 -55.99 3.89 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.508 1.13 . . . . 0.0 110.999 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.507 HD22 ' H ' ' A' ' 31' ' ' LEU . 3.0 mm? -58.6 -47.13 85.37 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 0.77 . . . . 0.0 109.311 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.407 ' HA ' ' O ' ' A' ' 43' ' ' THR . 0.8 OUTLIER -146.03 -168.25 2.94 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.155 . . . . 0.0 108.347 179.978 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.436 ' N ' ' O ' ' A' ' 43' ' ' THR . 22.3 t -154.04 140.98 19.25 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.48 1.112 . . . . 0.0 110.024 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.423 ' N ' ' O ' ' A' ' 27' ' ' ALA . 20.7 m -104.88 27.39 8.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.152 . . . . 0.0 108.269 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.514 ' CG ' ' HD2' ' A' ' 36' ' ' PRO . 0.2 OUTLIER -107.53 150.74 40.49 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.585 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.514 ' HD2' ' CG ' ' A' ' 35' ' ' HIS . 18.1 Cg_endo -75.07 0.14 9.29 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.485 1.781 . . . . 0.0 111.028 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.537 ' O ' HD12 ' A' ' 41' ' ' LEU . 30.4 p -95.17 -7.2 39.86 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.552 1.158 . . . . 0.0 110.413 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.449 ' O ' ' N ' ' A' ' 42' ' ' GLY . 19.7 p -63.98 -20.21 65.72 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.522 1.138 . . . . 0.0 108.306 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 85.6 p -67.22 -41.5 85.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.14 . . . . 0.0 110.002 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -76.05 -33.63 49.46 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.445 1.091 . . . . 0.0 110.965 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.537 HD12 ' O ' ' A' ' 37' ' ' THR . 1.0 OUTLIER -82.65 -68.39 0.71 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 0.749 . . . . 0.0 109.293 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 38' ' ' CYS . . . 120.76 42.05 0.5 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.472 1.108 . . . . 0.0 110.981 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.436 ' O ' ' N ' ' A' ' 33' ' ' SER . 75.4 p -124.21 24.02 8.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 0.771 . . . . 0.0 110.409 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 55.8 m -64.73 147.36 53.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 108.318 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' CYS . . . . . 0.77 ' SG ' ' SG ' ' A' ' 21' ' ' CYS . 0.0 OUTLIER -87.08 161.56 18.07 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.503 1.127 . . . . 0.0 108.312 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -73.52 -26.93 61.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 110.324 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -109.58 16.39 22.23 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.51 1.131 . . . . 0.0 109.339 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.458 ' O ' ' N ' ' A' ' 52' ' ' CYS . 18.6 t80 -68.89 -48.07 64.27 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.533 1.146 . . . . 0.0 111.026 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.452 ' O ' ' CB ' ' A' ' 53' ' ' LEU . 6.5 mt -73.56 -33.81 64.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.123 . . . . 0.0 109.301 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -58.79 -38.95 79.68 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.121 . . . . 0.0 109.313 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.414 ' CB ' ' O ' ' A' ' 21' ' ' CYS . 4.8 m-85 -98.1 -20.79 17.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 0.0 111.024 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' CYS . . . . . 0.458 ' N ' ' O ' ' A' ' 48' ' ' PHE . 1.8 m -126.22 64.29 1.24 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.549 1.155 . . . . 0.0 108.307 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.452 ' CB ' ' O ' ' A' ' 49' ' ' LEU . 0.3 OUTLIER -103.03 30.88 4.53 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 109.281 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -176.76 37.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 110.328 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 6.1 pt -110.24 -26.23 3.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 0.0 109.312 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.9 mt -46.97 155.03 0.66 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.46 1.1 . . . . 0.0 109.302 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.94 -176.75 3.02 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.469 1.773 . . . . 0.0 111.051 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 26.0 t -178.11 -55.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 110.043 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 30.2 t 39.54 76.95 0.06 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.517 1.135 . . . . 0.0 110.004 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 147.13 -139.94 8.25 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.565 1.166 . . . . 0.0 111.001 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -112.54 -57.7 2.24 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.45 0.735 . . . . 0.0 109.991 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 62.18 108.03 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.472 1.107 . . . . 0.0 110.984 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 2.1 ttt -75.03 -55.26 5.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 110.985 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 108.33 -163.84 12.79 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.539 1.149 . . . . 0.0 111.033 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -133.36 -179.72 16.61 Favored Glycine 0 CA--C 1.53 1.011 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 15.3 mtpt -99.37 177.48 5.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 0.786 . . . . 0.0 109.265 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -163.23 163.56 25.41 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.502 1.126 . . . . 0.0 109.267 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -150.97 158.22 43.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 110.973 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 26.8 m -136.82 166.48 25.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.332 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 35.7 m -121.73 174.15 6.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.482 1.114 . . . . 0.0 109.29 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -88.21 146.12 25.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.096 . . . . 0.0 110.305 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 2.8 t-80 -118.87 166.18 13.14 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.494 1.121 . . . . 0.0 109.633 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -99.58 174.25 6.34 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.104 . . . . 0.0 109.288 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.28 159.23 18.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 0.0 109.327 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -159.14 143.7 15.54 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.124 . . . . 0.0 107.994 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 67.7 p -94.76 152.94 18.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 110.454 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 10.6 p-10 -136.56 98.23 11.14 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 109.291 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 150.21 38.15 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.503 1.791 . . . . 0.0 111.015 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 94.7 p -94.15 155.77 16.9 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.49 1.118 . . . . 0.0 110.024 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -92.79 157.22 23.47 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.55 1.156 . . . . 0.0 111.044 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 84.6 1.62 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.517 1.798 . . . . 0.0 111.006 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 43.3 t -119.09 158.73 25.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 110.018 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 20.5 m -67.92 83.82 0.21 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.145 . . . . 0.0 110.002 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.02 0 O-C-N 124.493 1.12 . . . . 0.0 110.998 179.984 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 66.7 p -172.81 169.69 4.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 0.759 . . . . 0.0 109.996 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.6 t 66.21 148.84 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.555 1.159 . . . . 0.0 109.999 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 146.92 92.07 0.11 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.512 1.133 . . . . 0.0 111.005 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 64.0 129.56 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.452 0.736 . . . . 0.0 110.011 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -78.02 81.61 4.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 110.03 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 42.71 -113.08 0.56 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.442 1.089 . . . . 0.0 110.985 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.421 HG23 ' O ' ' A' ' 8' ' ' ILE . 4.6 tp -146.51 91.9 5.26 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.51 0.77 . . . . 0.0 109.317 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 114.9 4.13 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.495 1.787 . . . . 0.0 110.982 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -37.22 98.11 0.01 OUTLIER Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.531 1.144 . . . . 0.0 111.01 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 159.57 40.95 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.454 1.765 . . . . 0.0 110.985 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -49.05 129.68 23.36 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.52 1.138 . . . . 0.0 110.991 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 38.0 p90 -137.75 141.5 40.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 0.784 . . . . 0.0 111.015 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 9.0 t -71.81 151.65 43.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.436 1.085 . . . . 0.0 110.363 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -82.25 142.68 31.92 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.523 1.139 . . . . 0.0 109.311 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -123.45 135.31 9.82 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.521 1.138 . . . . 0.0 110.968 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -80.96 159.08 24.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 0.785 . . . . 0.0 109.314 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 68.9 172.42 0.29 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.147 . . . . 0.0 110.292 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -177.51 62.74 0.09 OUTLIER Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.52 1.137 . . . . 0.0 111.039 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -117.6 150.37 39.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.449 0.734 . . . . 0.0 109.969 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.776 ' SG ' ' SG ' ' A' ' 45' ' ' CYS . 61.9 m -123.9 54.78 1.3 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.142 . . . . 0.0 108.325 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 38.8 t -64.8 -62.87 1.3 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.148 . . . . 0.0 110.007 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.565 HD12 ' N ' ' A' ' 24' ' ' ARG . 3.9 pp -110.6 -23.0 11.34 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 0.0 109.273 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.729 ' HD2' ' HB3' ' A' ' 27' ' ' ALA . 0.3 OUTLIER -44.17 -94.32 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.146 . . . . 0.0 110.344 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 33.5 m 59.22 40.12 21.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 108.291 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.434 ' N ' ' O ' ' A' ' 34' ' ' CYS . . . 166.39 54.76 0.03 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.527 1.142 . . . . 0.0 110.967 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.729 ' HB3' ' HD2' ' A' ' 24' ' ' ARG . . . -154.03 165.73 35.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 0.744 . . . . 0.0 109.296 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 31.9 mt-30 -126.14 126.99 45.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.441 1.088 . . . . 0.0 110.344 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -128.33 176.52 7.63 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.289 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -83.1 -51.33 4.22 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.441 1.088 . . . . 0.0 111.01 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.4 -38.46 89.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 0.756 . . . . 0.0 109.317 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.433 ' SG ' ' N ' ' A' ' 33' ' ' SER . 1.1 p -154.27 -161.99 1.33 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.109 . . . . 0.0 108.345 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.435 ' N ' ' O ' ' A' ' 43' ' ' THR . 27.5 t -161.19 137.37 8.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 109.99 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.446 ' N ' ' O ' ' A' ' 27' ' ' ALA . 19.2 m -102.6 28.62 5.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.551 1.157 . . . . 0.0 108.299 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.521 ' CG ' ' HD2' ' A' ' 36' ' ' PRO . 0.1 OUTLIER -109.78 152.68 43.06 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.125 . . . . 0.0 109.56 -179.969 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.521 ' HD2' ' CG ' ' A' ' 35' ' ' HIS . 18.3 Cg_endo -74.95 -3.34 13.77 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.505 1.792 . . . . 0.0 111.024 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.671 ' O ' HD12 ' A' ' 41' ' ' LEU . 30.9 p -93.07 0.75 57.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 0.0 110.36 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.439 ' O ' ' N ' ' A' ' 42' ' ' GLY . 22.2 p -74.42 -13.7 60.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 108.287 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 6.3 t -70.88 -42.28 70.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.144 . . . . 0.0 109.988 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -75.96 -34.07 48.63 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.513 1.133 . . . . 0.0 111.013 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.671 HD12 ' O ' ' A' ' 37' ' ' THR . 1.6 mt -82.31 -59.82 2.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 0.776 . . . . 0.0 109.315 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.439 ' N ' ' O ' ' A' ' 38' ' ' CYS . . . 110.79 32.54 2.64 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.504 1.128 . . . . 0.0 111.022 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.435 ' O ' ' N ' ' A' ' 33' ' ' SER . 47.0 p -110.64 21.21 16.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 0.768 . . . . 0.0 110.365 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 39.5 m -63.69 146.65 53.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 108.27 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' CYS . . . . . 0.776 ' SG ' ' SG ' ' A' ' 21' ' ' CYS . 0.4 OUTLIER -84.41 167.76 16.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.107 . . . . 0.0 108.253 -179.962 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -77.54 -25.59 50.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 110.325 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.6 p30 -112.9 15.05 19.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.266 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.466 ' O ' ' N ' ' A' ' 52' ' ' CYS . 13.4 t80 -69.1 -48.2 63.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 110.977 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.495 ' O ' ' CB ' ' A' ' 53' ' ' LEU . 10.0 mt -73.68 -35.82 65.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 109.336 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.442 ' HA ' HD12 ' A' ' 53' ' ' LEU . 0.3 OUTLIER -58.76 -40.76 84.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 109.362 179.964 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -94.06 -22.87 18.24 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 110.985 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' CYS . . . . . 0.506 ' HB3' HG21 ' A' ' 55' ' ' ILE . 1.0 OUTLIER -128.52 64.72 1.42 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 108.275 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.495 ' CB ' ' O ' ' A' ' 49' ' ' LEU . 0.2 OUTLIER -97.45 12.83 31.93 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.452 1.095 . . . . 0.0 109.298 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -163.34 45.79 0.12 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.463 1.102 . . . . 0.0 110.306 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.506 HG21 ' HB3' ' A' ' 52' ' ' CYS . 6.8 pt -111.73 -31.43 2.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.532 1.145 . . . . 0.0 109.31 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.418 ' C ' ' O ' ' A' ' 55' ' ' ILE . 1.2 mp -38.84 99.34 0.19 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.13 . . . . 0.0 109.316 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.425 ' N ' ' O ' ' A' ' 55' ' ' ILE . 18.3 Cg_endo -74.96 68.7 5.68 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.457 1.767 . . . . 0.0 111.004 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 61.4 p -124.61 -63.48 1.18 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.128 . . . . 0.0 110.004 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.2 t -59.64 118.55 6.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 109.958 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -112.08 -170.68 18.52 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.482 1.114 . . . . 0.0 110.994 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -46.79 133.3 10.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.555 0.797 . . . . 0.0 110.02 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -91.28 150.36 21.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.455 1.097 . . . . 0.0 111.009 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -88.03 159.08 18.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.445 1.09 . . . . 0.0 111.011 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 134.04 -109.58 0.81 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.577 1.173 . . . . 0.0 110.997 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -97.99 67.22 0.76 Allowed Glycine 0 CA--C 1.53 0.995 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 17.0 mttt -161.19 124.07 3.18 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.548 0.793 . . . . 0.0 109.321 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 26.7 t0 -117.96 96.39 5.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.557 1.161 . . . . 0.0 109.285 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -102.06 113.23 26.29 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.506 1.129 . . . . 0.0 111.044 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 33.0 m -123.63 168.15 16.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.51 1.131 . . . . 0.0 109.28 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 6.0 p -162.03 153.57 3.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.115 . . . . 0.0 109.299 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 5.6 pt20 -161.42 150.08 15.88 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.491 1.119 . . . . 0.0 110.303 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 2.5 t-80 -155.77 171.11 20.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 0.0 109.554 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -173.74 149.71 1.62 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 109.361 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 1.5 tttt -162.83 142.93 9.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.277 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . 9.3 m95 -159.08 146.16 17.21 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.533 1.146 . . . . 0.0 108.003 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 12.8 t -156.17 167.67 29.69 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 110.362 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -173.2 99.88 0.33 Allowed Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.115 . . . . 0.0 109.291 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.01 174.1 13.37 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.52 1.8 . . . . 0.0 111.049 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -152.54 170.86 19.14 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.474 1.109 . . . . 0.0 109.986 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 172.14 96.43 0.1 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.471 1.107 . . . . 0.0 110.981 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -179.91 5.44 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.551 1.816 . . . . 0.0 111.005 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 8.3 m -133.48 -53.66 0.89 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 110.016 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 13.0 t 60.26 159.22 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 0.0 109.986 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.976 0 O-C-N 124.535 1.147 . . . . 0.0 111.02 -179.981 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.967 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.1 t 62.33 146.05 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 0.752 . . . . 0.0 109.986 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 37.0 m -154.14 -59.36 0.12 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 0.0 109.975 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 66.65 -126.88 27.91 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.508 1.13 . . . . 0.0 111.026 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 55.67 98.73 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 0.76 . . . . 0.0 109.982 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 87.9 p -173.05 121.74 0.38 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.113 . . . . 0.0 110.046 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -169.59 90.64 0.1 OUTLIER Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.532 1.145 . . . . 0.0 111.007 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 7.1 mt -129.18 89.19 48.89 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.477 0.751 . . . . 0.0 109.287 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -45.38 0.28 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.486 1.782 . . . . 0.0 111.005 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 55.11 88.72 0.01 OUTLIER Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.498 1.124 . . . . 0.0 110.994 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 73.58 4.25 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.538 1.81 . . . . 0.0 111.037 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 167.35 77.69 0.04 OUTLIER Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.508 1.13 . . . . 0.0 111.016 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -98.3 133.7 42.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 0.772 . . . . 0.0 111.018 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 81.5 p -120.94 60.91 0.9 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 110.404 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . 60.17 160.93 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 0.0 109.287 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -53.52 174.14 0.42 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.497 1.123 . . . . 0.0 111.015 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -150.48 -65.82 0.2 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 0.739 . . . . 0.0 109.278 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.552 ' HG3' HD12 ' A' ' 31' ' ' LEU . 1.0 OUTLIER -135.25 -174.77 3.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 110.332 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 102.68 52.2 0.98 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.524 1.14 . . . . 0.0 111.008 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.1 m -128.14 137.38 52.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 0.746 . . . . 0.0 109.979 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 20.4 m -94.76 73.43 3.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 108.346 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.5 -36.52 76.57 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.458 1.099 . . . . 0.0 109.964 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.897 HD22 ' O ' ' A' ' 23' ' ' LEU . 0.0 OUTLIER -167.94 32.13 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 0.0 109.303 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 17.0 mmm180 -90.71 -70.71 0.66 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 110.277 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 95.3 m 58.71 21.42 8.85 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 108.322 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 177.49 74.17 0.06 OUTLIER Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.447 1.092 . . . . 0.0 111.006 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -160.21 153.43 21.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.456 0.739 . . . . 0.0 109.351 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 28.7 mt-30 -120.57 126.82 51.28 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.132 . . . . 0.0 110.267 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -128.29 178.03 6.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 109.28 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -87.32 -29.18 22.92 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.482 1.114 . . . . 0.0 110.992 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.552 HD12 ' HG3' ' A' ' 18' ' ' GLN . 12.0 mt -86.39 -41.04 14.81 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.471 0.748 . . . . 0.0 109.27 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.401 ' HA ' ' O ' ' A' ' 43' ' ' THR . 0.6 OUTLIER -154.72 -176.95 6.16 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.512 1.132 . . . . 0.0 108.318 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.448 ' N ' ' O ' ' A' ' 43' ' ' THR . 25.9 t -152.02 136.43 16.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 110.044 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.439 ' HA ' ' CD1' ' A' ' 48' ' ' PHE . 23.1 m -97.42 10.52 39.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.458 1.099 . . . . 0.0 108.345 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.525 ' CG ' ' HD2' ' A' ' 36' ' ' PRO . 0.7 OUTLIER -83.9 147.99 52.9 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.125 . . . . 0.0 109.628 179.988 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.525 ' HD2' ' CG ' ' A' ' 35' ' ' HIS . 18.4 Cg_endo -74.93 -5.54 16.93 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.484 1.781 . . . . 0.0 111.052 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 82.2 p -93.77 -4.07 50.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.143 . . . . 0.0 110.407 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.442 ' O ' ' N ' ' A' ' 42' ' ' GLY . 20.7 p -68.23 -17.85 64.41 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.515 1.135 . . . . 0.0 108.317 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 7.7 t -66.33 -44.39 83.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 110.027 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -76.18 -27.99 61.01 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.56 1.162 . . . . 0.0 111.025 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 11.5 mt -82.88 -65.22 1.04 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 0.754 . . . . 0.0 109.288 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.442 ' N ' ' O ' ' A' ' 38' ' ' CYS . . . 116.66 40.34 0.79 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.536 1.148 . . . . 0.0 110.976 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.448 ' O ' ' N ' ' A' ' 33' ' ' SER . 72.8 p -125.41 19.81 8.08 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.511 0.771 . . . . 0.0 110.388 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 60.5 m -63.09 148.74 47.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.146 . . . . 0.0 108.288 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -84.77 164.92 18.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 108.273 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -80.72 -22.58 40.15 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.577 1.173 . . . . 0.0 110.299 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -113.06 12.96 19.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 109.302 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.439 ' CD1' ' HA ' ' A' ' 34' ' ' CYS . 11.1 t80 -67.75 -48.41 66.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 110.983 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.471 ' O ' ' CG ' ' A' ' 53' ' ' LEU . 10.6 mt -73.89 -34.26 64.35 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 109.3 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -62.13 -30.4 71.01 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.464 1.103 . . . . 0.0 109.343 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 6.5 m-85 -100.54 -29.35 12.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 111.039 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' CYS . . . . . 0.475 ' HB3' ' CG2' ' A' ' 55' ' ' ILE . 4.8 m -127.17 71.15 1.31 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 108.263 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.471 ' CG ' ' O ' ' A' ' 49' ' ' LEU . 0.2 OUTLIER -102.31 32.57 3.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.143 . . . . 0.0 109.311 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -172.41 37.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 110.283 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.475 ' CG2' ' HB3' ' A' ' 52' ' ' CYS . 6.9 pt -111.96 -31.13 2.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 109.308 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.2 mt -49.15 155.44 1.16 Allowed Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.536 1.148 . . . . 0.0 109.319 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 80.91 2.31 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.511 1.795 . . . . 0.0 111.039 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 97.2 p -82.97 94.8 7.82 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.499 1.125 . . . . 0.0 110.005 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.2 m -107.32 -61.45 1.55 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.988 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -172.81 -107.45 0.2 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.458 1.099 . . . . 0.0 111.033 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -131.59 131.64 43.44 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 0.763 . . . . 0.0 110.009 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -109.99 87.23 2.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 111.019 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 4.3 tpt -71.75 142.81 49.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.127 . . . . 0.0 110.994 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -119.96 150.05 17.67 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.476 1.11 . . . . 0.0 110.984 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -146.48 148.04 19.42 Favored Glycine 0 CA--C 1.53 1.003 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -144.15 158.07 43.93 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.471 0.747 . . . . 0.0 109.289 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 18.5 t0 -125.12 151.42 45.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 109.277 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -141.29 160.02 40.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.442 1.089 . . . . 0.0 110.987 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 6.4 p -157.05 149.45 10.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.525 1.141 . . . . 0.0 109.297 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 10.7 p -155.28 153.85 7.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.548 1.155 . . . . 0.0 109.268 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 11.0 pt20 -170.85 168.94 7.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.446 1.091 . . . . 0.0 110.286 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 36.1 t-80 -176.79 152.58 0.98 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.55 1.157 . . . . 0.0 109.559 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 4.4 pp -171.76 174.86 4.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.33 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 47.4 tttt -172.69 138.3 0.84 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 109.329 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . 52.2 t-105 178.66 131.57 0.07 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.511 1.132 . . . . 0.0 108.024 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 21.8 p -133.77 164.1 27.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 0.0 110.423 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.4 t70 177.0 95.54 0.12 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.332 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 162.41 37.14 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.458 1.767 . . . . 0.0 111.008 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.9 t -177.3 151.78 0.81 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.513 1.133 . . . . 0.0 110.015 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 175.42 96.96 0.1 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.55 1.157 . . . . 0.0 110.974 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -178.67 4.33 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.485 1.782 . . . . 0.0 111.001 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 42.8 t -158.08 156.41 30.97 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 110.02 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 177.93 169.74 0.71 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 110.01 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.973 0 O-C-N 124.543 1.152 . . . . 0.0 111.0 -179.973 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.951 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -168.72 168.46 10.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 0.759 . . . . 0.0 109.993 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -169.04 170.6 8.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.542 1.151 . . . . 0.0 109.994 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -170.51 157.0 27.91 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.527 1.142 . . . . 0.0 110.996 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.8 p -168.5 149.67 4.85 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.561 0.801 . . . . 0.0 110.014 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.2 p 179.02 150.61 0.29 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.476 1.11 . . . . 0.0 110.036 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 152.18 132.48 1.83 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.488 1.118 . . . . 0.0 111.005 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 3.5 mp -142.55 88.89 8.53 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.506 0.768 . . . . 0.0 109.281 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 177.28 8.81 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.455 1.766 . . . . 0.0 111.018 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -157.82 158.13 28.81 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.495 1.122 . . . . 0.0 110.986 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 178.56 7.11 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.529 1.805 . . . . 0.0 110.964 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 162.58 115.04 0.33 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.556 1.16 . . . . 0.0 111.0 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 11.3 t80 -150.31 171.01 17.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.425 0.721 . . . . 0.0 111.03 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.41 ' O ' ' HB3' ' A' ' 15' ' ' ALA . 12.5 t -168.44 -44.1 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.44 1.088 . . . . 0.0 110.415 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.41 ' HB3' ' O ' ' A' ' 14' ' ' THR . . . 67.03 164.72 0.21 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.546 1.154 . . . . 0.0 109.302 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 135.96 -165.04 24.96 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.516 1.135 . . . . 0.0 110.999 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -72.41 107.96 5.26 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.46 0.741 . . . . 0.0 109.301 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 1.3 pt20 -160.7 -174.55 4.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 110.26 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 112.35 54.33 0.48 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.462 1.101 . . . . 0.0 110.968 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 68.2 m -125.66 151.02 47.11 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 0.78 . . . . 0.0 110.03 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.911 ' SG ' ' SG ' ' A' ' 45' ' ' CYS . 79.0 m -128.51 40.57 3.63 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 108.276 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.541 ' HA ' ' CD1' ' A' ' 51' ' ' TYR . 1.1 p -73.22 -53.59 10.54 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.454 1.096 . . . . 0.0 109.977 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -111.21 42.3 1.68 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.472 1.107 . . . . 0.0 109.264 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.771 ' HD2' ' HB3' ' A' ' 27' ' ' ALA . 1.0 OUTLIER -132.02 -93.89 0.37 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 110.328 179.953 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 54.2 m 59.19 40.09 22.04 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.45 1.094 . . . . 0.0 108.266 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 165.78 55.45 0.03 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.504 1.128 . . . . 0.0 111.027 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.771 ' HB3' ' HD2' ' A' ' 24' ' ' ARG . . . -156.42 165.21 36.98 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 0.753 . . . . 0.0 109.307 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 98.2 mt-30 -126.19 126.98 44.98 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.535 1.147 . . . . 0.0 110.375 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -128.42 177.58 6.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.15 . . . . 0.0 109.313 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -81.53 -56.38 2.98 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.513 1.133 . . . . 0.0 111.026 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.3 mp -58.6 -47.05 85.64 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 0.754 . . . . 0.0 109.312 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -145.88 -174.39 4.41 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.53 1.144 . . . . 0.0 108.286 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.46 ' N ' ' O ' ' A' ' 43' ' ' THR . 10.5 t -149.13 137.56 20.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.987 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.435 ' N ' ' O ' ' A' ' 27' ' ' ALA . 12.8 m -102.42 22.56 13.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 108.284 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.524 ' CG ' ' HD2' ' A' ' 36' ' ' PRO . 0.1 OUTLIER -99.18 153.31 37.85 Favored Pre-proline 0 C--N 1.324 -0.524 0 O-C-N 124.492 1.12 . . . . 0.0 109.629 179.948 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.524 ' HD2' ' CG ' ' A' ' 35' ' ' HIS . 18.2 Cg_endo -75.06 0.02 9.44 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.546 1.814 . . . . 0.0 110.964 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -96.18 -10.13 28.87 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.539 1.15 . . . . 0.0 110.363 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 14.6 p -52.85 -22.66 5.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 108.293 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -69.73 -44.57 70.01 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 0.0 109.998 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -76.28 -31.87 53.58 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.49 1.119 . . . . 0.0 110.97 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 75.3 mt -81.15 -58.35 3.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 0.745 . . . . 0.0 109.285 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 110.69 27.04 4.52 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.433 1.083 . . . . 0.0 111.034 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.46 ' O ' ' N ' ' A' ' 33' ' ' SER . 46.2 p -118.97 42.66 2.76 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.496 0.763 . . . . 0.0 110.381 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 59.1 m -76.12 148.16 38.04 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.526 1.142 . . . . 0.0 108.326 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' CYS . . . . . 0.911 ' SG ' ' SG ' ' A' ' 21' ' ' CYS . 2.3 m -84.84 155.07 21.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 108.32 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -68.54 -27.74 66.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 110.333 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 6.7 p30 -113.24 17.6 18.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 109.3 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.463 ' O ' ' N ' ' A' ' 52' ' ' CYS . 16.3 t80 -64.83 -48.66 73.55 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.469 1.106 . . . . 0.0 110.977 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.464 ' O ' ' CB ' ' A' ' 53' ' ' LEU . 8.4 mt -74.03 -34.63 64.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 109.309 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -58.87 -37.79 77.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.125 . . . . 0.0 109.268 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.541 ' CD1' ' HA ' ' A' ' 22' ' ' SER . 4.9 m-85 -98.79 -20.51 16.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 111.032 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' CYS . . . . . 0.518 ' HB3' HD13 ' A' ' 55' ' ' ILE . 1.7 m -128.41 65.16 1.4 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 108.263 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.464 ' CB ' ' O ' ' A' ' 49' ' ' LEU . 0.3 OUTLIER -102.88 28.91 5.77 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 109.356 179.934 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -176.68 40.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 110.299 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.518 HD13 ' HB3' ' A' ' 52' ' ' CYS . 11.4 pt -110.55 -28.68 2.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 0.0 109.302 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.8 mt -47.95 155.51 0.84 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 109.306 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -49.95 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.491 1.785 . . . . 0.0 110.991 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 87.0 p -41.31 136.97 1.53 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.104 . . . . 0.0 110.027 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.8 t -175.62 -59.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 109.974 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 167.41 105.72 0.19 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.538 1.149 . . . . 0.0 111.046 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -156.67 124.72 5.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 0.769 . . . . 0.0 109.982 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -131.04 164.66 24.91 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 0.0 111.04 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -87.51 129.01 35.23 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 110.986 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -159.77 -96.82 0.12 Allowed Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.511 1.132 . . . . 0.0 110.984 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -116.92 164.71 12.36 Favored Glycine 0 CA--C 1.531 1.036 0 N-CA-C 110.941 -0.864 . . . . 0.0 110.941 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 1.5 mtmt -138.43 165.38 26.95 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 0.772 . . . . 0.0 109.315 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -120.56 166.45 13.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.31 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 3.9 t80 -96.04 160.91 14.21 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.527 1.142 . . . . 0.0 111.008 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 7.7 p -123.88 153.05 29.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.506 1.129 . . . . 0.0 109.32 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 9.4 p -88.51 163.19 2.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.501 1.125 . . . . 0.0 109.303 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 13.2 pt20 -122.48 169.93 10.49 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.491 1.119 . . . . 0.0 110.31 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 20.0 t60 -143.09 173.43 11.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 109.584 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -83.3 175.83 9.59 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 109.341 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 2.8 mttp 65.86 178.56 0.21 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 109.314 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . 15.2 m95 63.82 122.63 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 0.0 107.98 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 25.9 m -101.26 159.13 15.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.154 . . . . 0.0 110.383 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -70.53 142.43 89.01 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.551 1.157 . . . . 0.0 109.329 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -177.9 3.78 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.554 1.818 . . . . 0.0 110.994 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 2.3 m -97.95 171.09 8.5 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.515 1.134 . . . . 0.0 110.026 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -115.0 158.41 14.36 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.492 1.12 . . . . 0.0 110.983 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -175.68 2.49 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.442 1.759 . . . . 0.0 110.999 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 89.1 p -142.74 164.07 31.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 109.973 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 68.65 164.69 0.24 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 109.983 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.037 0 O-C-N 124.49 1.119 . . . . 0.0 110.977 179.995 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.954 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 36.2 t -162.02 -58.43 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.452 0.736 . . . . 0.0 110.009 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -55.34 99.68 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 109.991 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -147.12 144.58 12.74 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.467 1.104 . . . . 0.0 111.029 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.1 m -137.38 -60.2 0.67 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.498 0.764 . . . . 0.0 110.042 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.6 t 62.35 136.33 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 109.995 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 158.32 163.07 12.37 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.437 1.086 . . . . 0.0 111.03 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.636 ' O ' HG23 ' A' ' 8' ' ' ILE . 5.4 tp -145.97 86.61 7.07 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.511 0.771 . . . . 0.0 109.291 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 140.59 25.6 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.532 1.806 . . . . 0.0 110.987 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -155.46 157.46 27.73 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.519 1.137 . . . . 0.0 110.993 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 142.94 28.57 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.455 1.766 . . . . 0.0 110.994 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -152.34 67.29 0.33 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.501 1.125 . . . . 0.0 110.992 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -87.71 161.36 17.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 0.769 . . . . 0.0 111.013 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 9.8 t -133.96 135.48 43.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.146 . . . . 0.0 110.423 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -147.39 102.17 3.44 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 109.333 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 125.57 130.4 3.46 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.493 1.121 . . . . 0.0 111.017 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -83.07 79.23 9.43 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.47 0.747 . . . . 0.0 109.318 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -59.57 -175.9 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 110.298 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 117.53 55.92 0.3 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.439 1.087 . . . . 0.0 111.003 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 4.5 p -124.62 151.02 45.37 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.518 0.775 . . . . 0.0 109.996 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.961 ' SG ' ' SG ' ' A' ' 45' ' ' CYS . 73.5 m -126.91 48.52 2.18 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.467 1.105 . . . . 0.0 108.316 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.512 ' HB3' HD13 ' A' ' 23' ' ' LEU . 30.4 t -84.33 -46.71 11.48 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.55 1.156 . . . . 0.0 109.971 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.63 ' N ' HD13 ' A' ' 23' ' ' LEU . 0.0 OUTLIER -111.41 32.37 5.42 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.548 1.155 . . . . 0.0 109.272 -179.977 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.755 ' HD2' ' HB3' ' A' ' 27' ' ' ALA . 1.2 mtt180 -124.06 -93.25 0.51 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.491 1.119 . . . . 0.0 110.277 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 74.2 m 59.41 40.32 21.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 108.279 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 166.53 55.37 0.03 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.534 1.146 . . . . 0.0 110.97 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.755 ' HB3' ' HD2' ' A' ' 24' ' ' ARG . . . -156.6 163.49 39.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 0.767 . . . . 0.0 109.255 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 69.5 mt-30 -126.2 126.98 44.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 110.295 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -128.35 177.73 6.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.1 . . . . 0.0 109.239 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -81.13 -59.82 2.36 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.488 1.117 . . . . 0.0 111.004 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.3 mp -54.31 -46.54 72.85 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 0.773 . . . . 0.0 109.322 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.406 ' SG ' ' N ' ' A' ' 33' ' ' SER . 0.7 OUTLIER -146.46 -167.04 2.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 108.274 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.45 ' N ' ' O ' ' A' ' 43' ' ' THR . 18.8 t -155.89 140.61 17.04 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.518 1.136 . . . . 0.0 109.956 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.44 ' N ' ' O ' ' A' ' 27' ' ' ALA . 6.2 m -104.02 28.12 7.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 108.308 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.517 ' CG ' ' HD2' ' A' ' 36' ' ' PRO . 0.2 OUTLIER -109.17 152.07 42.35 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.504 1.127 . . . . 0.0 109.622 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.517 ' HD2' ' CG ' ' A' ' 35' ' ' HIS . 18.3 Cg_endo -75.01 -5.21 16.5 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.484 1.781 . . . . 0.0 111.014 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 41.9 p -86.73 -12.65 47.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.142 . . . . 0.0 110.408 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.447 ' O ' ' N ' ' A' ' 42' ' ' GLY . 22.0 p -60.35 -17.13 41.27 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.517 1.136 . . . . 0.0 108.26 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 6.0 t -70.66 -39.94 73.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.137 . . . . 0.0 110.032 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -76.16 -33.96 47.96 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.557 1.16 . . . . 0.0 110.98 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.2 mt -85.46 -65.7 0.98 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 0.763 . . . . 0.0 109.312 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' ' 38' ' ' CYS . . . 119.89 37.98 0.73 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.541 1.151 . . . . 0.0 111.037 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.45 ' O ' ' N ' ' A' ' 33' ' ' SER . 72.3 p -119.44 30.88 6.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 0.767 . . . . 0.0 110.385 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 56.4 m -70.16 147.66 49.6 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 108.344 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' CYS . . . . . 0.961 ' SG ' ' SG ' ' A' ' 21' ' ' CYS . 2.5 m -81.57 155.86 25.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.138 . . . . 0.0 108.278 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -68.93 -27.94 66.21 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.129 . . . . 0.0 110.294 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 6.8 p30 -113.07 16.89 19.16 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 109.276 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.442 ' O ' ' N ' ' A' ' 52' ' ' CYS . 13.1 t80 -62.95 -48.23 79.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 0.0 110.985 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.454 ' O ' ' CG ' ' A' ' 53' ' ' LEU . 5.3 mt -73.53 -30.91 63.38 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.485 1.116 . . . . 0.0 109.278 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -58.64 -38.3 77.8 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.443 1.09 . . . . 0.0 109.294 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.506 ' CG ' ' HA ' ' A' ' 22' ' ' SER . 34.2 m-85 -101.02 -22.41 14.76 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.518 1.136 . . . . 0.0 111.03 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' CYS . . . . . 0.442 ' N ' ' O ' ' A' ' 48' ' ' PHE . 2.0 m -123.23 65.54 0.99 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.46 1.1 . . . . 0.0 108.318 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.454 ' CG ' ' O ' ' A' ' 49' ' ' LEU . 0.3 OUTLIER -104.29 27.25 7.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 109.34 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -177.08 42.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.555 1.159 . . . . 0.0 110.293 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.419 HD13 ' HB3' ' A' ' 52' ' ' CYS . 7.4 pt -111.71 -30.77 2.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.492 1.12 . . . . 0.0 109.316 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.1 mt -39.89 100.14 0.21 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 109.274 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.406 ' N ' ' O ' ' A' ' 55' ' ' ILE . 18.1 Cg_endo -75.04 133.93 17.13 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.471 1.774 . . . . 0.0 110.993 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -44.09 154.09 0.12 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.451 1.094 . . . . 0.0 109.977 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.2 m -80.75 -59.18 2.78 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.5 1.125 . . . . 0.0 109.966 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -129.4 157.0 21.57 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.468 1.105 . . . . 0.0 110.961 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -117.93 163.52 16.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 0.767 . . . . 0.0 109.997 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 68.19 -72.67 0.09 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 111.003 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER 54.1 92.77 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 111.036 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -61.17 -107.89 0.01 OUTLIER Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.53 1.144 . . . . 0.0 110.984 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 116.03 158.34 11.49 Favored Glycine 0 CA--C 1.531 1.06 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 1.9 tttt -122.39 78.89 1.55 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 0.779 . . . . 0.0 109.307 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -87.35 94.82 9.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 109.303 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 27.5 p90 -59.4 156.12 13.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 111.024 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 20.4 m -99.45 142.51 14.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 109.304 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 7.4 p -109.53 136.89 44.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.534 1.146 . . . . 0.0 109.318 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 48.5 mt-30 -55.61 147.04 19.03 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.54 1.15 . . . . 0.0 110.298 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 15.2 p-80 -125.78 171.32 10.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 109.592 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -96.02 175.4 6.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.256 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 8.1 tttp -120.92 156.69 31.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.298 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -163.63 159.53 21.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.561 1.163 . . . . 0.0 108.005 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 99.7 m -145.54 155.22 42.94 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.537 1.148 . . . . 0.0 110.403 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -157.21 125.38 2.86 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 109.278 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 177.9 7.99 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.529 1.805 . . . . 0.0 110.99 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 33.9 p -151.32 166.19 31.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.49 1.119 . . . . 0.0 110.045 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -157.61 97.2 0.16 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.522 1.139 . . . . 0.0 110.989 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 179.47 6.06 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.47 1.774 . . . . 0.0 111.002 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 74.4 m -148.36 177.38 9.48 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.458 1.099 . . . . 0.0 110.038 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 5.5 t -146.53 171.57 14.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 109.987 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 O-C-N 124.506 1.129 . . . . 0.0 111.004 179.957 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.969 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.0 m -122.29 109.58 14.63 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.502 0.766 . . . . 0.0 109.999 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -136.68 111.89 9.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.143 . . . . 0.0 109.989 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 163.53 -82.74 0.11 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.51 1.131 . . . . 0.0 110.967 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.8 t -155.88 166.18 34.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 0.755 . . . . 0.0 109.999 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -67.65 -59.49 3.3 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.116 . . . . 0.0 109.999 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -155.02 145.31 12.29 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.505 1.128 . . . . 0.0 110.993 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 3.2 pt -146.66 89.56 5.75 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.441 0.73 . . . . 0.0 109.313 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 137.47 21.84 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.459 1.768 . . . . 0.0 110.992 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -155.59 172.08 33.67 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.501 1.126 . . . . 0.0 111.003 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -41.11 0.71 Allowed 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.505 1.792 . . . . 0.0 110.976 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -62.1 128.95 42.98 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.459 1.1 . . . . 0.0 111.004 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -155.62 170.36 22.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 0.747 . . . . 0.0 111.004 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 92.8 m -131.84 148.34 52.54 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 110.377 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -130.02 86.35 2.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 0.0 109.3 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 134.85 107.47 0.93 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.464 1.102 . . . . 0.0 110.971 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.561 ' O ' HD13 ' A' ' 31' ' ' LEU . . . -174.7 156.8 2.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 0.781 . . . . 0.0 109.279 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 4.3 mm-40 59.73 165.52 0.06 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.547 1.154 . . . . 0.0 110.328 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 124.67 78.66 0.36 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.519 1.137 . . . . 0.0 110.996 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -119.72 151.03 39.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 0.762 . . . . 0.0 109.968 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 1.041 ' SG ' ' SG ' ' A' ' 45' ' ' CYS . 74.7 m -125.27 48.39 2.03 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.132 . . . . 0.0 108.277 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 10.6 m -82.65 -50.13 9.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.969 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -109.87 41.92 1.61 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.146 . . . . 0.0 109.292 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.81 ' HD2' ' HB3' ' A' ' 27' ' ' ALA . 1.0 OUTLIER -131.81 -93.2 0.38 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.143 . . . . 0.0 110.306 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 93.0 m 59.42 40.24 21.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.15 . . . . 0.0 108.304 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 160.27 60.16 0.01 OUTLIER Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.501 1.126 . . . . 0.0 111.026 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.81 ' HB3' ' HD2' ' A' ' 24' ' ' ARG . . . -156.46 162.43 39.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 0.783 . . . . 0.0 109.345 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 34.4 mt-30 -126.2 127.3 45.47 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.112 . . . . 0.0 110.268 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.49 ' CB ' ' O ' ' A' ' 32' ' ' CYS . 0.2 OUTLIER -128.15 177.25 7.04 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.524 1.14 . . . . 0.0 109.264 -179.964 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -82.56 -46.81 6.25 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.476 1.11 . . . . 0.0 110.963 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.561 HD13 ' O ' ' A' ' 17' ' ' ALA . 72.4 mt -68.07 -42.59 80.23 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 0.764 . . . . 0.0 109.32 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.49 ' O ' ' CB ' ' A' ' 29' ' ' ASP . 5.7 p -156.54 -179.62 8.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.12 . . . . 0.0 108.266 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 38.7 t -141.6 145.7 35.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.553 1.158 . . . . 0.0 110.03 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.411 ' N ' ' O ' ' A' ' 27' ' ' ALA . 6.9 m -110.04 11.61 23.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.544 1.153 . . . . 0.0 108.272 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.519 ' CG ' ' HD2' ' A' ' 36' ' ' PRO . 0.3 OUTLIER -82.85 149.98 61.02 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 109.597 -179.98 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.519 ' HD2' ' CG ' ' A' ' 35' ' ' HIS . 18.3 Cg_endo -74.96 -0.8 10.4 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.431 1.753 . . . . 0.0 111.012 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 16.8 p -101.06 -6.43 24.41 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.56 1.162 . . . . 0.0 110.392 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.43 ' O ' ' N ' ' A' ' 42' ' ' GLY . 25.7 p -62.47 -21.65 65.63 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.453 1.096 . . . . 0.0 108.282 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -63.6 -40.95 98.23 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.523 1.139 . . . . 0.0 110.018 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -75.53 -26.36 65.68 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.478 1.111 . . . . 0.0 111.027 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.9 mt -86.12 -69.12 0.69 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 0.756 . . . . 0.0 109.283 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.43 ' N ' ' O ' ' A' ' 38' ' ' CYS . . . 119.4 40.39 0.63 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.53 1.144 . . . . 0.0 110.99 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.412 ' O ' ' HA ' ' A' ' 32' ' ' CYS . 12.5 p -126.65 14.47 7.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 0.741 . . . . 0.0 110.352 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 58.5 m -55.59 148.16 16.51 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.133 . . . . 0.0 108.288 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' CYS . . . . . 1.041 ' SG ' ' SG ' ' A' ' 21' ' ' CYS . 4.4 m -77.46 147.89 35.67 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.476 1.11 . . . . 0.0 108.31 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -62.15 -25.86 67.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 110.243 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -111.0 19.27 18.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.561 1.163 . . . . 0.0 109.288 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.586 ' CZ ' HD11 ' A' ' 55' ' ' ILE . 9.2 t80 -62.41 -48.17 80.9 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 0.0 110.997 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.724 ' N ' HD13 ' A' ' 49' ' ' LEU . 0.0 OUTLIER -73.5 -30.59 63.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.131 . . . . 0.0 109.31 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -58.47 -28.37 65.27 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.131 . . . . 0.0 109.293 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.416 ' CB ' ' O ' ' A' ' 21' ' ' CYS . 46.3 m-85 -113.96 -18.66 11.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.132 . . . . 0.0 111.002 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' CYS . . . . . 0.801 ' HB3' HD13 ' A' ' 55' ' ' ILE . 2.2 m -132.34 71.0 1.46 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 108.359 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -101.01 27.3 6.15 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.531 1.144 . . . . 0.0 109.275 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -172.52 55.39 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.5 1.125 . . . . 0.0 110.311 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.801 HD13 ' HB3' ' A' ' 52' ' ' CYS . 5.0 pt -130.21 -45.41 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 0.0 109.283 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.419 ' N ' HG13 ' A' ' 55' ' ' ILE . 53.2 mt -40.43 158.42 0.16 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.143 . . . . 0.0 109.298 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 156.43 43.15 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.512 1.796 . . . . 0.0 110.981 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 3.9 m -108.86 96.86 6.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 110.02 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -59.83 115.95 3.75 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.134 . . . . 0.0 110.013 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 61.11 140.31 0.01 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.472 1.107 . . . . 0.0 111.03 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 3.8 t -133.55 83.81 2.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.454 0.737 . . . . 0.0 110.029 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -179.66 118.58 0.06 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.546 1.154 . . . . 0.0 110.963 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -46.17 153.85 0.3 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 110.999 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -129.54 75.16 0.43 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.482 1.114 . . . . 0.0 111.018 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 99.58 -109.89 3.85 Favored Glycine 0 CA--C 1.531 1.036 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -165.86 75.16 0.21 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 0.778 . . . . 0.0 109.273 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.529 ' HB3' ' CD1' ' A' ' 68' ' ' PHE . 0.9 OUTLIER -72.65 -59.49 2.69 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 109.296 179.974 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.529 ' CD1' ' HB3' ' A' ' 67' ' ' ASP . 50.5 p90 -176.68 121.58 0.14 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.544 1.153 . . . . 0.0 111.007 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 77.9 t -109.73 126.38 66.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 0.0 109.294 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 35.3 m -98.15 162.08 2.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 0.0 109.328 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 6.2 mt-30 -112.33 148.47 34.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 110.333 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 3.2 m80 -88.73 165.9 14.42 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.5 1.125 . . . . 0.0 109.617 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -127.83 171.26 11.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.283 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -99.66 167.42 10.58 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.524 1.14 . . . . 0.0 109.248 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . 43.3 t-105 -95.35 152.08 18.7 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 107.933 -1.136 . . . . 0.0 107.933 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 4.2 t -141.91 138.2 31.86 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.482 1.114 . . . . 0.0 110.416 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 25.0 p-10 -57.21 131.19 80.64 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.305 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.9 71.69 4.84 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.507 1.793 . . . . 0.0 111.037 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.7 m -97.22 92.49 6.04 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.498 1.124 . . . . 0.0 109.994 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -95.68 -78.47 1.41 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.452 1.095 . . . . 0.0 111.008 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 127.14 10.44 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.483 1.781 . . . . 0.0 111.027 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -41.92 107.57 0.08 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 0.0 109.985 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 28.5 p -127.36 151.7 48.44 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 109.996 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.033 0 O-C-N 124.557 1.161 . . . . 0.0 111.043 -179.998 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.026 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 65.19 153.12 0.06 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 0.745 . . . . 0.0 110.041 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 177.6 165.57 0.64 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.504 1.128 . . . . 0.0 110.007 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 175.19 -179.24 46.57 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.494 1.121 . . . . 0.0 111.015 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 83.5 p -167.57 162.5 14.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 0.761 . . . . 0.0 110.012 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.2 p -134.26 -53.74 0.84 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.143 . . . . 0.0 109.98 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.516 ' O ' ' CG1' ' A' ' 8' ' ' ILE . . . -75.1 165.94 54.77 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.461 1.101 . . . . 0.0 111.025 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.516 ' CG1' ' O ' ' A' ' 7' ' ' GLY . 0.4 OUTLIER 164.2 -52.61 0.0 OUTLIER Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.506 0.768 . . . . 0.0 109.34 -179.984 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.507 ' CD ' ' N ' ' A' ' 8' ' ' ILE . 18.1 Cg_endo -75.04 155.96 42.79 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.498 1.789 . . . . 0.0 110.977 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -136.14 157.48 23.47 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.504 1.127 . . . . 0.0 111.01 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 162.1 37.81 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.46 1.769 . . . . 0.0 111.026 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 118.13 115.54 2.69 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.536 1.148 . . . . 0.0 110.973 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 10.0 m-85 -135.42 120.97 19.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 0.783 . . . . 0.0 111.039 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 16.8 m -143.22 95.12 2.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.132 . . . . 0.0 110.4 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -128.06 150.22 50.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.143 . . . . 0.0 109.308 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 155.2 122.69 0.81 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.498 1.123 . . . . 0.0 110.995 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . 49.36 82.19 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 0.758 . . . . 0.0 109.292 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 4.3 pt20 -175.76 -178.68 1.1 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 110.316 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 115.99 56.81 0.33 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.479 1.112 . . . . 0.0 110.984 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 21.4 m -125.49 150.89 46.97 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 0.77 . . . . 0.0 110.02 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 1.037 ' SG ' ' SG ' ' A' ' 45' ' ' CYS . 67.5 m -122.4 61.7 0.98 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 108.316 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.648 ' HB3' HD13 ' A' ' 23' ' ' LEU . 6.0 t -84.72 -57.92 2.93 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 109.997 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.648 HD13 ' HB3' ' A' ' 22' ' ' SER . 0.0 OUTLIER -116.7 26.05 10.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 109.304 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.723 ' HD2' ' HB3' ' A' ' 27' ' ' ALA . 0.7 OUTLIER -102.78 -92.8 0.33 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 0.0 110.293 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 60.9 m 59.61 40.19 20.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.452 1.095 . . . . 0.0 108.259 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 166.43 56.14 0.03 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.464 1.102 . . . . 0.0 111.022 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.723 ' HB3' ' HD2' ' A' ' 24' ' ' ARG . . . -156.28 164.69 38.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 0.765 . . . . 0.0 109.317 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 60.3 mt-30 -126.27 126.92 44.79 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 110.305 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -128.23 175.12 8.69 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 109.286 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -79.82 -54.75 3.8 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.497 1.123 . . . . 0.0 110.976 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.604 HD22 ' H ' ' A' ' 31' ' ' LEU . 2.5 mm? -60.42 -46.64 89.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 0.757 . . . . 0.0 109.278 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.418 ' HA ' ' O ' ' A' ' 43' ' ' THR . 0.8 OUTLIER -145.5 -171.34 3.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 108.339 179.971 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.438 ' N ' ' O ' ' A' ' 43' ' ' THR . 19.4 t -153.28 137.69 16.7 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.454 1.096 . . . . 0.0 109.951 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.437 ' N ' ' O ' ' A' ' 27' ' ' ALA . 12.7 m -102.98 28.36 6.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.567 1.167 . . . . 0.0 108.299 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.518 ' CG ' ' HD2' ' A' ' 36' ' ' PRO . 0.1 OUTLIER -107.42 152.4 41.28 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 109.599 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.518 ' HD2' ' CG ' ' A' ' 35' ' ' HIS . 18.3 Cg_endo -74.98 -0.16 9.63 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.549 1.815 . . . . 0.0 110.984 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 50.7 p -94.63 -11.33 29.53 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.465 1.103 . . . . 0.0 110.389 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.441 ' O ' ' N ' ' A' ' 42' ' ' GLY . 21.0 p -55.35 -20.71 12.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.421 1.076 . . . . 0.0 108.312 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -67.62 -40.14 84.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.449 1.093 . . . . 0.0 109.983 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -75.73 -34.1 49.72 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.46 1.1 . . . . 0.0 111.029 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.1 mt -83.2 -67.72 0.77 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 0.756 . . . . 0.0 109.332 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 38' ' ' CYS . . . 118.07 42.33 0.61 Allowed Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.467 1.104 . . . . 0.0 111.043 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.438 ' O ' ' N ' ' A' ' 33' ' ' SER . 46.9 p -129.22 29.35 5.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.446 0.733 . . . . 0.0 110.38 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 33.7 m -63.37 144.71 56.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 108.288 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' CYS . . . . . 1.037 ' SG ' ' SG ' ' A' ' 21' ' ' CYS . 2.9 m -79.2 145.87 33.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 108.313 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -61.97 -26.24 68.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.565 1.166 . . . . 0.0 110.291 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -111.75 19.74 17.73 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.528 1.143 . . . . 0.0 109.335 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.485 ' CD2' ' CD1' ' A' ' 49' ' ' LEU . 11.4 t80 -66.92 -48.2 69.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 110.982 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.728 ' N ' HD13 ' A' ' 49' ' ' LEU . 0.0 OUTLIER -73.34 -30.3 63.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.318 179.97 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -57.94 -38.78 76.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 0.0 109.31 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.499 ' CB ' ' O ' ' A' ' 21' ' ' CYS . 44.6 m-85 -104.31 -16.56 15.12 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.548 1.155 . . . . 0.0 111.019 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' CYS . . . . . 0.55 ' HB3' HD13 ' A' ' 55' ' ' ILE . 0.4 OUTLIER -132.76 66.44 1.56 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 108.278 179.976 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.44 ' CB ' ' O ' ' A' ' 49' ' ' LEU . 0.4 OUTLIER -97.48 8.9 43.75 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.471 1.107 . . . . 0.0 109.29 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -159.55 46.1 0.26 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 0.0 110.321 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.55 HD13 ' HB3' ' A' ' 52' ' ' CYS . 8.6 pt -111.34 -29.17 2.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.471 1.107 . . . . 0.0 109.306 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 6.2 mt -54.51 155.05 7.85 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.109 . . . . 0.0 109.33 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -53.98 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.527 1.804 . . . . 0.0 110.993 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 36.4 t -178.03 85.75 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.496 1.122 . . . . 0.0 109.994 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.7 m 56.2 170.82 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.458 1.098 . . . . 0.0 109.988 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -98.46 69.76 0.64 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.529 1.143 . . . . 0.0 111.048 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 33.9 t -115.18 85.55 2.29 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.534 0.785 . . . . 0.0 109.983 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 4.1 ttt -177.71 108.51 0.06 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 110.984 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 37.3 mtt -132.92 145.58 51.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 110.995 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -113.35 -79.9 0.95 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.533 1.145 . . . . 0.0 110.96 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 38.94 90.45 0.01 OUTLIER Glycine 0 CA--C 1.53 1.017 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.21 163.78 31.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 0.766 . . . . 0.0 109.303 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 63.09 132.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.447 1.092 . . . . 0.0 109.292 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -165.36 155.33 13.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 111.027 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 8.3 p -131.71 153.44 38.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 109.283 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 65.8 t -128.24 144.67 37.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.299 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -160.84 147.57 15.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 110.327 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -174.5 172.85 3.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 109.58 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER 54.72 89.73 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.323 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -175.51 79.0 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 109.32 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . 30.3 m95 -150.59 144.85 25.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.133 . . . . 0.0 107.99 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 9.6 t -172.28 136.79 0.84 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.135 . . . . 0.0 110.386 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 177.84 99.55 0.14 Allowed Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 109.295 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -179.82 5.38 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.55 1.816 . . . . 0.0 111.021 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 12.9 m -143.71 169.79 17.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.108 . . . . 0.0 110.015 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 173.06 97.23 0.11 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.487 1.117 . . . . 0.0 110.996 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 -179.86 5.41 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.483 1.781 . . . . 0.0 111.0 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 8.2 t -169.59 172.68 6.8 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.129 . . . . 0.0 110.023 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 66.16 157.74 0.11 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 110.036 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.027 0 O-C-N 124.493 1.12 . . . . 0.0 110.996 -179.999 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.978 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.5 t -146.01 -58.56 0.31 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 0.751 . . . . 0.0 110.009 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 97.8 p -171.27 169.56 6.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.992 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -89.95 167.92 33.69 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.528 1.142 . . . . 0.0 111.012 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 35.6 p -148.86 134.65 18.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 0.745 . . . . 0.0 110.013 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -74.03 162.16 29.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 110.016 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -68.58 -152.71 0.46 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.486 1.117 . . . . 0.0 110.994 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 5.3 mp -133.31 87.9 36.98 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.454 0.738 . . . . 0.0 109.281 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 125.08 9.09 Favored 'Trans proline' 0 C--N 1.359 1.106 0 O-C-N 124.486 1.782 . . . . 0.0 111.03 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -85.95 158.72 32.15 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.508 1.13 . . . . 0.0 110.992 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.464 ' HG2' ' CG2' ' A' ' 14' ' ' THR . 18.2 Cg_endo -75.01 170.01 21.35 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.511 1.795 . . . . 0.0 111.017 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -77.62 -62.71 2.35 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.539 1.149 . . . . 0.0 111.016 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -80.12 101.36 8.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.564 0.802 . . . . 0.0 110.985 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.464 ' CG2' ' HG2' ' A' ' 11' ' ' PRO . 2.9 p -130.57 95.35 3.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.14 . . . . 0.0 110.401 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -141.73 159.39 42.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 109.317 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 155.79 163.84 12.62 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.526 1.141 . . . . 0.0 110.987 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -135.47 83.42 2.02 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.54 0.788 . . . . 0.0 109.324 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 7.1 pt20 -112.21 -176.35 2.9 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.107 . . . . 0.0 110.315 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 118.63 58.47 0.27 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.512 1.132 . . . . 0.0 110.944 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 12.1 p -125.76 151.02 47.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 0.748 . . . . 0.0 110.017 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.931 ' SG ' ' SG ' ' A' ' 45' ' ' CYS . 86.3 m -126.17 51.16 1.81 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 108.263 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.497 ' HA ' ' CG ' ' A' ' 51' ' ' TYR . 77.1 p -84.83 -47.48 10.32 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 109.956 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -112.41 26.58 10.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 109.272 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.764 ' HD2' ' HB3' ' A' ' 27' ' ' ALA . 1.1 mtt180 -117.43 -94.29 0.5 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.474 1.109 . . . . 0.0 110.299 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 60.3 m 59.43 40.12 21.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 108.309 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 165.63 55.19 0.02 OUTLIER Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.497 1.123 . . . . 0.0 110.992 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.764 ' HB3' ' HD2' ' A' ' 24' ' ' ARG . . . -154.42 166.95 31.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.451 0.736 . . . . 0.0 109.303 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 29.8 mt-30 -126.24 127.18 45.23 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.529 1.143 . . . . 0.0 110.299 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -128.18 173.27 10.25 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 0.0 109.306 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -79.91 -55.13 3.65 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.533 1.145 . . . . 0.0 111.003 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 29.1 mt -60.77 -41.64 95.9 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 0.778 . . . . 0.0 109.269 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -150.44 -170.62 3.7 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.144 . . . . 0.0 108.273 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.449 ' N ' ' O ' ' A' ' 43' ' ' THR . 18.6 t -153.3 139.21 18.1 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.513 1.133 . . . . 0.0 110.008 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 8.7 m -103.4 26.99 7.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 108.301 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.52 ' CG ' ' HD2' ' A' ' 36' ' ' PRO . 0.1 OUTLIER -105.74 151.82 40.0 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.582 -179.974 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.52 ' HD2' ' CG ' ' A' ' 35' ' ' HIS . 18.2 Cg_endo -74.95 -0.06 9.48 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.468 1.773 . . . . 0.0 110.984 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 66.2 p -96.99 -2.27 43.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.106 . . . . 0.0 110.393 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.431 ' O ' ' N ' ' A' ' 42' ' ' GLY . 26.6 p -67.35 -19.06 65.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 108.304 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.6 m -67.5 -41.97 83.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 110.041 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -75.71 -32.26 54.42 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.444 1.09 . . . . 0.0 110.988 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 16.2 mt -82.38 -66.02 0.94 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 0.768 . . . . 0.0 109.333 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.431 ' N ' ' O ' ' A' ' 38' ' ' CYS . . . 116.8 38.45 0.89 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.472 1.108 . . . . 0.0 110.981 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.449 ' O ' ' N ' ' A' ' 33' ' ' SER . 58.9 p -125.56 27.89 6.38 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 0.767 . . . . 0.0 110.43 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 57.2 m -64.47 147.25 53.13 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.461 1.1 . . . . 0.0 108.263 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' CYS . . . . . 0.931 ' SG ' ' SG ' ' A' ' 21' ' ' CYS . 3.9 m -80.38 150.82 29.71 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.48 1.112 . . . . 0.0 108.291 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -65.08 -27.8 69.02 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.477 1.11 . . . . 0.0 110.272 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -110.96 20.82 17.12 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.486 1.116 . . . . 0.0 109.297 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.518 ' CD2' HD13 ' A' ' 49' ' ' LEU . 29.0 t80 -66.07 -48.57 70.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 0.0 110.954 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.691 HD22 ' H ' ' A' ' 49' ' ' LEU . 0.2 OUTLIER -73.75 -30.05 62.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.434 1.084 . . . . 0.0 109.287 -179.966 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -57.77 -40.77 80.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.135 . . . . 0.0 109.313 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.499 ' CB ' ' O ' ' A' ' 21' ' ' CYS . 48.2 m-85 -101.67 -20.96 14.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 110.997 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' CYS . . . . . 0.544 ' HB3' HD13 ' A' ' 55' ' ' ILE . 0.1 OUTLIER -128.14 66.55 1.36 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.111 . . . . 0.0 108.25 -179.951 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.453 ' CB ' ' O ' ' A' ' 49' ' ' LEU . 0.3 OUTLIER -95.81 7.62 45.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.27 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -158.17 48.4 0.37 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 110.297 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.544 HD13 ' HB3' ' A' ' 52' ' ' CYS . 9.1 pt -113.8 -32.68 2.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.554 1.158 . . . . 0.0 109.322 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.417 ' N ' HG13 ' A' ' 55' ' ' ILE . 5.0 mt -54.8 154.75 8.96 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.346 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 110.4 3.11 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.431 1.753 . . . . 0.0 111.012 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -123.15 106.6 10.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.125 . . . . 0.0 110.003 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -157.1 160.76 39.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.986 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -82.61 -150.47 8.95 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.47 1.106 . . . . 0.0 111.0 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 2.1 m 57.44 98.98 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.525 0.779 . . . . 0.0 109.966 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 6.6 mtm -104.42 90.17 3.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 111.007 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 3.9 ptt? -67.28 148.19 52.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.125 . . . . 0.0 110.99 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -116.84 134.04 11.05 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.525 1.141 . . . . 0.0 110.996 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -114.59 -127.16 4.34 Favored Glycine 0 CA--C 1.53 0.973 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 4.3 pttp 41.28 49.28 3.3 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.476 0.75 . . . . 0.0 109.337 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -47.46 161.12 0.09 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.328 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -87.28 149.14 24.75 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.503 1.127 . . . . 0.0 110.973 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 35.0 m -119.82 161.91 18.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.524 1.14 . . . . 0.0 109.325 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 8.7 p -97.02 161.19 2.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.483 1.114 . . . . 0.0 109.291 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -92.14 169.7 10.41 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 110.261 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' HIS . . . . . 0.634 ' O ' HD22 ' A' ' 73' ' ' LEU . 0.0 OUTLIER -118.11 172.66 7.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.107 . . . . 0.0 109.636 179.935 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.634 HD22 ' O ' ' A' ' 72' ' ' HIS . 3.1 mm? -127.26 170.58 12.3 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.461 1.1 . . . . 0.0 109.276 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.414 ' O ' ' CG ' ' A' ' 75' ' ' TRP . 0.0 OUTLIER -119.59 175.53 5.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.437 1.086 . . . . 0.0 109.286 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 75' ' ' TRP . . . . . 0.414 ' CG ' ' O ' ' A' ' 74' ' ' LYS . 3.3 m-90 -160.85 161.43 31.88 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 69.4 p -126.85 172.56 10.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.542 1.151 . . . . 0.0 110.405 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -133.98 121.38 15.74 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.296 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -177.87 3.78 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.546 1.814 . . . . 0.0 110.988 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -125.48 170.26 11.59 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.117 . . . . 0.0 109.942 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -137.48 157.22 23.93 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.436 1.085 . . . . 0.0 110.989 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -174.71 2.04 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.521 1.8 . . . . 0.0 110.987 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 15.6 p -164.89 161.51 20.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.554 1.159 . . . . 0.0 109.956 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 69.07 167.4 0.28 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 109.983 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.955 0 O-C-N 124.507 1.129 . . . . 0.0 111.005 -179.983 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.983 0 N-CA-C 111.036 -0.826 . . . . 0.0 111.036 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -99.69 168.98 9.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 0.743 . . . . 0.0 110.023 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -112.62 168.84 9.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.553 1.158 . . . . 0.0 109.978 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -155.37 -66.41 0.01 OUTLIER Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.53 1.144 . . . . 0.0 110.967 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 51.5 p -54.78 149.66 10.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 0.749 . . . . 0.0 110.006 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.3 p -177.92 161.16 1.54 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.482 1.113 . . . . 0.0 109.991 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.41 ' C ' HG22 ' A' ' 8' ' ' ILE . . . -66.69 -140.86 0.05 OUTLIER Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.544 1.152 . . . . 0.0 111.002 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.41 HG22 ' C ' ' A' ' 7' ' ' GLY . 0.6 OUTLIER 42.91 65.11 5.63 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.469 0.747 . . . . 0.0 109.291 -179.98 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.405 ' HD3' ' N ' ' A' ' 8' ' ' ILE . 18.3 Cg_endo -74.94 -44.3 0.35 Allowed 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.485 1.782 . . . . 0.0 111.039 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 123.19 97.27 1.3 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.472 1.108 . . . . 0.0 110.997 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 100.83 1.4 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.489 1.784 . . . . 0.0 110.975 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -74.49 120.54 6.53 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.493 1.121 . . . . 0.0 110.971 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -168.43 133.53 1.72 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.547 0.792 . . . . 0.0 111.048 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 3.5 m -78.85 142.77 36.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.551 1.157 . . . . 0.0 110.432 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -98.7 -59.47 1.73 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.567 1.167 . . . . 0.0 109.294 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.694 ' HA2' HD21 ' A' ' 31' ' ' LEU . . . 53.38 63.17 5.3 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.463 1.102 . . . . 0.0 110.997 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -143.38 -60.59 0.41 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 0.787 . . . . 0.0 109.305 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 5.5 pt20 -57.35 -175.88 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 110.296 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 104.26 63.03 0.67 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.492 1.12 . . . . 0.0 110.979 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -127.45 151.19 49.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 0.758 . . . . 0.0 110.021 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.589 ' SG ' ' SG ' ' A' ' 45' ' ' CYS . 37.2 m -128.32 44.5 2.94 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 108.296 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.463 ' HA ' ' CD1' ' A' ' 51' ' ' TYR . 29.0 t -75.3 -1.87 25.63 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.127 . . . . 0.0 110.017 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.497 ' C ' ' CD1' ' A' ' 23' ' ' LEU . 0.1 OUTLIER -168.99 32.52 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 109.34 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.501 ' CB ' ' SG ' ' A' ' 34' ' ' CYS . 1.8 mmm180 -105.38 -92.53 0.37 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.521 1.138 . . . . 0.0 110.294 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 72.6 m 59.63 40.34 20.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 108.289 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 158.35 61.21 0.01 OUTLIER Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.523 1.14 . . . . 0.0 111.043 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.44 ' CB ' ' NE ' ' A' ' 24' ' ' ARG . . . -158.86 155.62 28.13 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.492 0.76 . . . . 0.0 109.245 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 5.0 mm-40 -126.09 126.62 44.49 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.521 1.138 . . . . 0.0 110.307 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -128.63 177.8 6.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.44 1.087 . . . . 0.0 109.268 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -84.31 -50.65 4.21 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.491 1.119 . . . . 0.0 111.017 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.694 HD21 ' HA2' ' A' ' 16' ' ' GLY . 0.8 OUTLIER -61.78 -43.53 98.68 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.526 0.78 . . . . 0.0 109.296 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.439 ' SG ' ' N ' ' A' ' 33' ' ' SER . 0.9 OUTLIER -150.05 -162.43 1.55 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 108.284 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.439 ' N ' ' SG ' ' A' ' 32' ' ' CYS . 23.3 t -165.25 139.35 4.82 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.508 1.13 . . . . 0.0 110.018 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.544 ' HA ' ' CD1' ' A' ' 48' ' ' PHE . 4.7 m -101.45 12.1 37.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 108.33 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.524 ' CG ' ' HD2' ' A' ' 36' ' ' PRO . 0.1 OUTLIER -83.21 152.32 64.64 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.133 . . . . 0.0 109.617 -179.981 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.524 ' HD2' ' CG ' ' A' ' 35' ' ' HIS . 18.3 Cg_endo -74.98 -19.87 17.47 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.505 1.792 . . . . 0.0 110.993 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.544 ' O ' HD12 ' A' ' 41' ' ' LEU . 10.4 p -83.1 -2.43 55.39 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 110.381 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 15.7 p -64.45 -15.04 59.99 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.466 1.104 . . . . 0.0 108.305 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 98.4 p -70.47 -41.75 72.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.143 . . . . 0.0 109.998 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -76.05 -30.48 57.3 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.505 1.128 . . . . 0.0 110.989 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.544 HD12 ' O ' ' A' ' 37' ' ' THR . 1.4 mt -83.53 -55.83 4.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 0.774 . . . . 0.0 109.272 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 103.81 36.8 3.13 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.545 1.153 . . . . 0.0 110.963 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.432 ' O ' ' N ' ' A' ' 33' ' ' SER . 46.8 p -116.97 18.58 14.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.453 0.737 . . . . 0.0 110.425 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 35.5 m -62.1 146.14 51.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 108.263 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' CYS . . . . . 0.589 ' SG ' ' SG ' ' A' ' 21' ' ' CYS . 0.2 OUTLIER -83.43 168.07 16.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 108.294 179.954 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -78.4 -23.6 46.65 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.53 1.144 . . . . 0.0 110.304 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 6.0 p30 -113.01 9.82 18.74 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.532 1.145 . . . . 0.0 109.295 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.544 ' CD1' ' HA ' ' A' ' 34' ' ' CYS . 6.3 t80 -65.88 -48.34 71.84 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 0.0 111.005 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.493 ' O ' ' CG ' ' A' ' 53' ' ' LEU . 11.0 mt -74.0 -37.33 64.44 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.493 1.121 . . . . 0.0 109.3 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.497 ' HA ' HD12 ' A' ' 53' ' ' LEU . 2.1 t0 -58.85 -33.1 70.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.104 . . . . 0.0 109.298 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.463 ' CD1' ' HA ' ' A' ' 22' ' ' SER . 6.1 m-85 -98.37 -30.01 12.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 111.004 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' CYS . . . . . 0.49 ' HB3' HD13 ' A' ' 55' ' ' ILE . 3.3 m -125.56 69.94 1.18 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.447 1.092 . . . . 0.0 108.308 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.497 HD12 ' HA ' ' A' ' 50' ' ' ASP . 0.2 OUTLIER -102.82 3.13 36.36 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.449 1.093 . . . . 0.0 109.284 -179.974 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -146.37 42.99 1.2 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.125 . . . . 0.0 110.326 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.49 HD13 ' HB3' ' A' ' 52' ' ' CYS . 8.5 pt -112.07 -31.1 2.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 109.316 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.1 mp -50.52 154.82 2.06 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.454 1.096 . . . . 0.0 109.321 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 148.03 34.65 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.5 1.79 . . . . 0.0 111.019 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -171.72 83.55 0.07 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 110.023 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 69.5 m -125.65 169.88 12.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 110.034 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -123.5 -76.84 0.34 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.501 1.125 . . . . 0.0 111.006 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 23.0 t 64.86 114.22 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.528 0.781 . . . . 0.0 110.064 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 1.7 mtm -55.48 170.0 0.27 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.451 1.094 . . . . 0.0 110.973 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -138.52 92.53 2.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 110.98 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -63.53 -134.19 0.01 OUTLIER Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.466 1.104 . . . . 0.0 110.976 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 170.15 161.64 21.03 Favored Glycine 0 CA--C 1.531 1.043 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 1.1 mmtt -59.62 158.17 10.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.566 0.803 . . . . 0.0 109.267 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.405 ' OD2' ' CD2' ' A' ' 68' ' ' PHE . 4.2 p-10 -92.47 -56.05 3.17 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 109.306 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.405 ' CD2' ' OD2' ' A' ' 67' ' ' ASP . 7.6 p90 -174.51 147.09 1.08 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.45 1.094 . . . . 0.0 110.989 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 26.8 m -135.29 166.52 27.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 109.288 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 65.3 t -103.92 136.37 37.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.507 1.13 . . . . 0.0 109.35 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -98.52 171.22 8.29 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.548 1.155 . . . . 0.0 110.268 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 9.1 t-80 -171.76 -61.84 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 109.601 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -45.74 153.74 0.26 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.437 1.086 . . . . 0.0 109.281 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 6.1 pttt -111.42 173.73 6.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.45 1.094 . . . . 0.0 109.298 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -153.49 161.46 42.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 108.021 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 13.5 t -102.52 163.23 12.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.145 . . . . 0.0 110.396 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -105.87 146.84 33.67 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.456 1.097 . . . . 0.0 109.344 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -177.87 3.76 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.462 1.769 . . . . 0.0 111.019 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -99.55 147.55 25.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.145 . . . . 0.0 110.037 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -81.73 160.89 41.75 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.504 1.127 . . . . 0.0 111.007 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 -177.85 3.74 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.472 1.775 . . . . 0.0 111.018 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 13.3 p -137.1 170.79 15.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.464 1.103 . . . . 0.0 110.026 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 65.23 157.56 0.1 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.553 1.158 . . . . 0.0 109.969 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.958 0 O-C-N 124.554 1.159 . . . . 0.0 111.055 179.992 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 57.8 m -154.68 154.34 32.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.44 0.729 . . . . 0.0 109.996 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -132.86 169.88 16.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.978 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -86.63 -169.68 46.14 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.505 1.128 . . . . 0.0 111.014 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -175.45 143.78 0.65 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 0.768 . . . . 0.0 109.997 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -45.62 165.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.104 . . . . 0.0 110.015 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -139.98 142.98 13.11 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.504 1.127 . . . . 0.0 111.043 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 19.9 pt -73.25 155.79 89.69 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.507 0.769 . . . . 0.0 109.315 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 110.01 3.04 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.516 1.798 . . . . 0.0 110.983 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -95.2 -84.19 1.65 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.498 1.124 . . . . 0.0 111.006 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 96.73 1.03 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.518 1.799 . . . . 0.0 110.952 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -116.37 -94.34 1.85 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.548 1.155 . . . . 0.0 110.957 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 5.9 t80 -40.91 148.2 0.11 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.489 0.758 . . . . 0.0 110.984 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 69.9 p -98.4 146.42 25.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 110.381 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -111.21 174.04 6.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.113 . . . . 0.0 109.292 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -98.88 -155.3 29.01 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.492 1.12 . . . . 0.0 111.012 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -123.3 126.01 46.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.446 0.733 . . . . 0.0 109.274 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 1.7 mm-40 -156.01 171.84 19.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 110.263 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 118.27 68.05 0.34 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.466 1.103 . . . . 0.0 110.995 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 14.0 m -128.05 151.02 49.67 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 0.752 . . . . 0.0 109.978 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.605 ' SG ' ' SG ' ' A' ' 45' ' ' CYS . 51.5 m -127.19 48.85 2.15 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 0.0 108.254 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 7.1 t -74.67 -52.29 12.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 109.993 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.408 ' C ' ' CD1' ' A' ' 23' ' ' LEU . 0.2 OUTLIER -120.49 37.05 4.38 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.501 1.126 . . . . 0.0 109.316 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.488 ' HD2' ' HB3' ' A' ' 27' ' ' ALA . 1.1 mtt180 -121.04 -93.53 0.52 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 110.282 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 50.5 m 59.31 40.06 21.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 108.297 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 172.87 51.9 0.05 OUTLIER Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.519 1.137 . . . . 0.0 111.006 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.488 ' HB3' ' HD2' ' A' ' 24' ' ' ARG . . . -152.87 164.42 37.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 0.769 . . . . 0.0 109.311 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 45.5 mt-30 -126.23 126.86 44.73 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.118 . . . . 0.0 110.297 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -128.24 177.29 7.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 109.275 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -83.37 -56.24 2.72 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.506 1.129 . . . . 0.0 111.053 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 15.4 mt -57.53 -43.68 84.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 0.777 . . . . 0.0 109.329 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.437 ' SG ' ' N ' ' A' ' 33' ' ' SER . 0.6 OUTLIER -148.14 -165.58 2.3 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 108.286 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.456 ' N ' ' O ' ' A' ' 43' ' ' THR . 5.9 t -157.37 137.26 12.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.542 1.151 . . . . 0.0 109.991 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 33.0 m -100.85 21.93 12.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.554 1.159 . . . . 0.0 108.334 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.526 ' CG ' ' HD2' ' A' ' 36' ' ' PRO . 0.1 OUTLIER -102.1 153.82 37.78 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 0.0 109.602 -179.956 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.526 ' HD2' ' CG ' ' A' ' 35' ' ' HIS . 18.2 Cg_endo -75.03 0.36 9.02 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.474 1.776 . . . . 0.0 110.978 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -93.97 -6.15 46.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 110.421 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.52 ' SG ' ' CE2' ' A' ' 48' ' ' PHE . 9.8 p -54.69 -21.02 9.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 108.29 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -70.1 -44.5 68.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.452 1.095 . . . . 0.0 110.0 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -76.24 -33.2 49.88 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.509 1.131 . . . . 0.0 110.999 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 87.9 mt -80.98 -58.91 2.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 0.77 . . . . 0.0 109.295 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 38' ' ' CYS . . . 107.45 29.56 4.43 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.484 1.115 . . . . 0.0 111.004 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.456 ' O ' ' N ' ' A' ' 33' ' ' SER . 67.7 p -119.02 41.48 3.05 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.446 0.733 . . . . 0.0 110.443 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 25.2 m -73.39 144.29 46.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 108.291 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' CYS . . . . . 0.605 ' SG ' ' SG ' ' A' ' 21' ' ' CYS . 0.8 OUTLIER -84.74 164.08 18.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 108.299 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -73.51 -28.09 61.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 110.307 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -113.04 16.16 19.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.292 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.52 ' CE2' ' SG ' ' A' ' 38' ' ' CYS . 20.8 t80 -68.97 -48.48 63.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 111.003 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.498 ' O ' ' CG ' ' A' ' 53' ' ' LEU . 9.2 mt -74.04 -34.32 64.04 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.509 1.131 . . . . 0.0 109.285 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.455 ' HA ' HD12 ' A' ' 53' ' ' LEU . 2.5 m-20 -58.69 -39.28 80.29 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.484 1.115 . . . . 0.0 109.242 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 -97.12 -23.65 16.12 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.475 1.11 . . . . 0.0 111.031 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' CYS . . . . . 0.651 ' HB3' HD13 ' A' ' 55' ' ' ILE . 1.3 m -125.25 65.64 1.14 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.557 1.161 . . . . 0.0 108.294 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.498 ' CG ' ' O ' ' A' ' 49' ' ' LEU . 0.2 OUTLIER -102.31 17.51 23.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.252 -179.972 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -167.59 42.67 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.522 1.139 . . . . 0.0 110.322 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.651 HD13 ' HB3' ' A' ' 52' ' ' CYS . 6.0 pt -110.51 -17.53 8.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.12 . . . . 0.0 109.288 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.663 HD13 ' H ' ' A' ' 56' ' ' LEU . 0.0 OUTLIER -101.34 157.37 33.8 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.427 1.079 . . . . 0.0 109.297 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 132.65 15.65 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.464 1.771 . . . . 0.0 110.973 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 32.9 m -120.2 91.72 3.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 109.962 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 73.01 -59.77 0.56 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.108 . . . . 0.0 110.042 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 75.68 122.26 0.14 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.495 1.122 . . . . 0.0 111.022 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -109.64 168.36 9.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 0.774 . . . . 0.0 109.977 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 2.1 mtp -124.0 166.0 16.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 110.971 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.47 96.25 0.51 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.44 1.088 . . . . 0.0 111.006 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -172.53 176.82 45.37 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.535 1.147 . . . . 0.0 111.003 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 167.91 159.01 12.67 Favored Glycine 0 CA--C 1.53 0.973 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.57 146.98 25.65 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.451 0.736 . . . . 0.0 109.297 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 14.8 t0 -165.74 161.5 18.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.263 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 6.2 t80 -122.95 166.97 14.18 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.137 . . . . 0.0 110.993 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 7.4 p -162.41 148.5 4.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.46 1.1 . . . . 0.0 109.335 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 3.7 p -136.31 143.09 36.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 109.241 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 11.7 tt0 -124.06 169.27 11.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 110.303 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 76.2 m-70 -141.02 174.33 10.62 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.116 . . . . 0.0 109.609 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -130.67 175.91 8.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.459 1.099 . . . . 0.0 109.31 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 2.4 tttt -109.92 171.72 7.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.346 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . 79.4 m95 -136.24 155.4 50.16 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 108.005 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 18.5 m -99.23 157.26 16.51 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.515 1.135 . . . . 0.0 110.39 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 2.2 p-10 -107.89 146.02 32.59 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.153 . . . . 0.0 109.341 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 173.81 13.88 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.449 1.763 . . . . 0.0 110.983 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.4 t -106.63 168.75 8.96 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.561 1.163 . . . . 0.0 110.009 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -93.12 158.05 23.65 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.451 1.094 . . . . 0.0 111.026 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -55.47 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.492 1.785 . . . . 0.0 110.978 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 9.6 t 63.49 134.7 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 110.006 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 6.7 m -152.03 171.29 18.07 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 110.026 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.974 0 O-C-N 124.552 1.157 . . . . 0.0 110.997 179.992 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.989 0 N-CA-C 111.055 -0.818 . . . . 0.0 111.055 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.0 t -154.57 164.66 38.36 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 0.753 . . . . 0.0 109.996 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 85.0 p -165.61 157.66 14.82 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.519 1.137 . . . . 0.0 109.998 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -138.13 -165.28 10.28 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.555 1.16 . . . . 0.0 110.961 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.9 m -158.63 161.82 37.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 0.782 . . . . 0.0 109.978 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -139.03 169.62 17.46 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.11 . . . . 0.0 110.008 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -106.28 175.13 20.99 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.472 1.108 . . . . 0.0 111.041 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 1.1 pt -143.39 156.6 60.56 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.501 0.765 . . . . 0.0 109.292 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 141.43 26.6 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.494 1.786 . . . . 0.0 110.954 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -112.69 97.16 0.87 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.513 1.133 . . . . 0.0 111.015 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 175.17 11.6 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.506 1.792 . . . . 0.0 110.986 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -94.45 -135.0 7.67 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.533 1.146 . . . . 0.0 110.993 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 33.9 t80 -154.87 110.2 3.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 0.763 . . . . 0.0 110.999 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 4.2 m 63.41 119.66 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 110.417 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -100.09 156.29 17.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.118 . . . . 0.0 109.298 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 149.42 -71.53 0.3 Allowed Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.529 1.143 . . . . 0.0 110.983 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -144.93 121.01 10.75 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.547 0.792 . . . . 0.0 109.279 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -153.06 171.75 17.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 110.299 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 113.68 74.38 0.64 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.482 1.114 . . . . 0.0 111.007 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.8 p -128.05 151.06 49.63 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.519 0.776 . . . . 0.0 110.003 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 66.3 m -124.12 57.76 1.21 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 108.297 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.543 ' HA ' ' CD2' ' A' ' 51' ' ' TYR . 23.2 t -77.53 -50.2 13.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 109.997 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.468 HD23 ' C ' ' A' ' 23' ' ' LEU . 0.4 OUTLIER -122.85 27.92 7.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 109.292 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.78 ' HD2' ' HB3' ' A' ' 27' ' ' ALA . 1.2 mtt180 -109.55 -95.58 0.41 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 110.315 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 34.2 m 59.14 38.8 23.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 108.33 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 34' ' ' CYS . . . 165.08 55.44 0.02 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.504 1.128 . . . . 0.0 111.01 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.78 ' HB3' ' HD2' ' A' ' 24' ' ' ARG . . . -151.51 167.71 27.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 0.757 . . . . 0.0 109.261 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -126.14 126.85 44.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.135 . . . . 0.0 110.29 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -128.63 177.43 7.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.44 1.087 . . . . 0.0 109.298 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -83.98 -51.61 3.93 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.481 1.113 . . . . 0.0 111.015 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.7 mp -62.09 -44.91 95.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 0.771 . . . . 0.0 109.306 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.448 ' SG ' ' N ' ' A' ' 33' ' ' SER . 1.7 p -147.24 -159.38 1.02 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 108.322 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.448 ' N ' ' SG ' ' A' ' 32' ' ' CYS . 19.7 t -163.97 137.65 5.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.448 1.092 . . . . 0.0 110.013 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.44 ' O ' ' N ' ' A' ' 26' ' ' GLY . 36.8 m -101.2 28.62 5.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.54 1.15 . . . . 0.0 108.29 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.521 ' CG ' ' HD2' ' A' ' 36' ' ' PRO . 0.2 OUTLIER -108.06 151.15 41.2 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.13 . . . . 0.0 109.605 179.98 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.521 ' HD2' ' CG ' ' A' ' 35' ' ' HIS . 18.1 Cg_endo -75.07 -4.64 15.68 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.49 1.784 . . . . 0.0 110.944 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.722 ' O ' HD12 ' A' ' 41' ' ' LEU . 38.0 p -91.89 -2.42 56.84 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 0.0 110.437 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.423 ' O ' ' N ' ' A' ' 42' ' ' GLY . 28.5 p -69.78 -12.09 61.36 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 108.308 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 12.4 t -71.25 -44.2 65.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 110.014 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -76.07 -34.06 48.12 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.513 1.133 . . . . 0.0 110.969 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.722 HD12 ' O ' ' A' ' 37' ' ' THR . 1.3 mt -81.08 -56.44 4.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 0.762 . . . . 0.0 109.279 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.423 ' N ' ' O ' ' A' ' 38' ' ' CYS . . . 105.21 38.47 2.46 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.526 1.141 . . . . 0.0 111.004 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.439 ' O ' ' N ' ' A' ' 33' ' ' SER . 41.8 p -117.03 20.49 13.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 0.762 . . . . 0.0 110.366 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 39.5 m -63.26 146.62 53.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.106 . . . . 0.0 108.314 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -82.98 166.18 19.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 108.267 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -75.57 -28.13 58.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.139 . . . . 0.0 110.312 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -113.07 16.84 19.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 109.297 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.465 ' O ' ' N ' ' A' ' 52' ' ' CYS . 15.5 t80 -68.18 -48.12 66.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 111.026 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.479 ' O ' ' CB ' ' A' ' 53' ' ' LEU . 6.4 mt -73.63 -36.52 65.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 0.0 109.239 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.444 ' HA ' HD12 ' A' ' 53' ' ' LEU . 1.1 m-20 -58.8 -39.33 80.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 109.32 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.543 ' CD2' ' HA ' ' A' ' 22' ' ' SER . 8.0 m-85 -93.82 -25.34 17.41 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.457 1.098 . . . . 0.0 111.017 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' CYS . . . . . 0.468 ' HB3' HG21 ' A' ' 55' ' ' ILE . 1.8 m -125.96 65.32 1.2 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.45 1.094 . . . . 0.0 108.291 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.479 ' CB ' ' O ' ' A' ' 49' ' ' LEU . 0.3 OUTLIER -99.73 30.08 3.82 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.14 . . . . 0.0 109.295 179.975 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 -174.48 39.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.453 1.096 . . . . 0.0 110.311 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.468 HG21 ' HB3' ' A' ' 52' ' ' CYS . 5.4 pt -111.48 -30.37 2.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.446 1.092 . . . . 0.0 109.258 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.41 ' N ' HG13 ' A' ' 55' ' ' ILE . 1.1 mt -42.57 102.01 0.26 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.295 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 164.66 32.9 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.549 1.815 . . . . 0.0 110.972 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 3.0 t -142.09 87.67 2.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.441 1.088 . . . . 0.0 109.991 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -47.4 -59.88 2.9 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 109.966 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -139.81 -107.25 0.71 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.503 1.127 . . . . 0.0 111.026 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 12.1 p -124.08 -48.11 1.88 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 0.75 . . . . 0.0 110.012 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -141.03 113.64 8.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.118 . . . . 0.0 110.984 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -104.48 105.6 15.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.125 . . . . 0.0 110.996 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -160.34 179.72 35.67 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.464 1.103 . . . . 0.0 110.997 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 139.35 106.51 0.69 Allowed Glycine 0 CA--C 1.531 1.033 0 N-CA-C 110.952 -0.859 . . . . 0.0 110.952 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -125.36 94.03 4.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 0.772 . . . . 0.0 109.305 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -87.5 126.52 34.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.452 1.095 . . . . 0.0 109.294 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -150.19 128.95 12.41 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.125 . . . . 0.0 111.019 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.452 ' O ' HG13 ' A' ' 69' ' ' VAL . 10.9 p -171.89 116.98 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 109.322 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.7 m -143.67 113.13 2.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 109.324 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 20.4 pt20 -150.94 132.98 15.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.111 . . . . 0.0 110.327 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 177.98 132.47 0.07 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.424 1.077 . . . . 0.0 109.606 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -165.56 85.19 0.36 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 109.274 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 1.5 mttp -169.62 132.19 1.18 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.125 . . . . 0.0 109.298 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' TRP . . . . . 0.478 ' CE3' ' HA ' ' A' ' 75' ' ' TRP . 0.4 OUTLIER -177.01 115.24 0.1 Allowed 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 8.7 t -170.01 137.81 1.64 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.145 . . . . 0.0 110.363 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 176.43 99.86 0.11 Allowed Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.445 1.09 . . . . 0.0 109.304 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.92 178.43 7.24 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.488 1.783 . . . . 0.0 110.982 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 3.7 m -157.53 165.21 36.21 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.136 . . . . 0.0 109.965 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -172.33 94.82 0.1 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.473 1.108 . . . . 0.0 110.994 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -179.14 4.7 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.525 1.803 . . . . 0.0 110.985 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 28.2 p -174.32 168.68 3.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 109.977 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 10.5 p -176.98 166.6 2.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 110.036 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 O-C-N 124.474 1.109 . . . . 0.0 111.018 -179.994 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.976 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -162.56 131.36 4.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 0.768 . . . . 0.0 109.987 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.6 t -133.65 127.84 33.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.103 . . . . 0.0 110.024 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -118.92 170.31 13.8 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.555 1.159 . . . . 0.0 111.034 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 80.1 p -124.67 138.13 54.32 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 0.781 . . . . 0.0 109.966 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 42.1 p -114.29 118.13 33.06 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.102 . . . . 0.0 109.949 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -104.72 68.26 0.27 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.519 1.137 . . . . 0.0 111.008 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -129.2 77.24 77.99 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.541 0.789 . . . . 0.0 109.297 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 -178.44 4.15 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.537 1.809 . . . . 0.0 111.011 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -46.17 124.27 7.43 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.494 1.121 . . . . 0.0 111.001 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 117.52 4.94 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.533 1.807 . . . . 0.0 110.991 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -167.67 111.8 0.46 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.516 1.135 . . . . 0.0 111.015 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -66.05 145.23 56.1 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.517 0.775 . . . . 0.0 111.008 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 6.3 t -39.46 154.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.097 . . . . 0.0 110.374 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -169.33 67.24 0.06 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.305 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 88.87 123.31 2.16 Favored Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.513 1.133 . . . . 0.0 110.999 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.41 139.49 58.78 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.523 0.778 . . . . 0.0 109.308 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 4.1 pm0 -102.79 -177.84 3.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 110.344 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 121.15 52.9 0.23 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.517 1.135 . . . . 0.0 110.992 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -124.72 150.95 45.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.549 0.793 . . . . 0.0 109.998 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.674 ' SG ' ' SG ' ' A' ' 45' ' ' CYS . 65.8 m -118.53 54.05 0.96 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.137 . . . . 0.0 108.304 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.558 ' HA ' ' CD2' ' A' ' 51' ' ' TYR . 58.3 p -55.74 -68.49 0.2 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 109.961 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.8 HD22 ' C ' ' A' ' 23' ' ' LEU . 0.0 OUTLIER -113.6 -13.32 12.75 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.464 1.103 . . . . 0.0 109.309 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.717 ' HD2' ' HB3' ' A' ' 27' ' ' ALA . 0.4 OUTLIER -50.03 -94.2 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.504 1.127 . . . . 0.0 110.333 -179.969 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 57.8 m 59.16 40.05 22.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.141 . . . . 0.0 108.346 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.437 ' N ' ' O ' ' A' ' 34' ' ' CYS . . . 166.79 54.49 0.03 OUTLIER Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.524 1.14 . . . . 0.0 110.994 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.717 ' HB3' ' HD2' ' A' ' 24' ' ' ARG . . . -152.78 167.32 29.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 0.779 . . . . 0.0 109.334 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 53.8 mt-30 -126.37 126.9 44.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.115 . . . . 0.0 110.276 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -128.34 178.03 6.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.139 . . . . 0.0 109.341 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -84.63 -51.53 3.83 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.517 1.136 . . . . 0.0 111.041 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.665 HD22 ' H ' ' A' ' 31' ' ' LEU . 1.5 mm? -63.21 -46.18 88.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.455 0.738 . . . . 0.0 109.309 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.423 ' SG ' ' N ' ' A' ' 33' ' ' SER . 0.6 OUTLIER -144.05 -167.0 2.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 108.264 179.986 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.432 ' N ' ' O ' ' A' ' 43' ' ' THR . 4.9 t -156.57 136.35 12.52 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 110.007 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.437 ' O ' ' N ' ' A' ' 26' ' ' GLY . 19.9 m -104.23 21.99 15.58 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.447 1.092 . . . . 0.0 108.266 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.518 ' CG ' ' HD2' ' A' ' 36' ' ' PRO . 0.1 OUTLIER -95.64 153.16 39.49 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.115 . . . . 0.0 109.572 -179.993 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.518 ' HD2' ' CG ' ' A' ' 35' ' ' HIS . 18.3 Cg_endo -75.0 -16.11 20.37 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.472 1.775 . . . . 0.0 110.989 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.596 ' O ' HD12 ' A' ' 41' ' ' LEU . 51.9 p -94.17 7.46 45.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 110.421 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 18.7 p -70.31 -18.28 63.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 108.281 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 58.6 p -71.25 -37.82 71.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.546 1.154 . . . . 0.0 110.034 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -75.73 -23.22 73.15 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.486 1.116 . . . . 0.0 111.03 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.596 HD12 ' O ' ' A' ' 37' ' ' THR . 1.6 mt -92.81 -51.66 4.98 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.532 0.783 . . . . 0.0 109.314 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 102.75 35.46 3.76 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.486 1.116 . . . . 0.0 110.983 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.432 ' O ' ' N ' ' A' ' 33' ' ' SER . 38.7 p -117.69 15.08 14.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 0.777 . . . . 0.0 110.341 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 59.9 m -59.16 148.57 31.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 108.284 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' CYS . . . . . 0.674 ' SG ' ' SG ' ' A' ' 21' ' ' CYS . 0.0 OUTLIER -86.46 161.85 18.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 108.26 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -73.29 -23.18 60.26 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.418 1.074 . . . . 0.0 110.276 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -112.15 15.37 20.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.125 . . . . 0.0 109.278 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.47 ' O ' ' N ' ' A' ' 52' ' ' CYS . 19.7 t80 -69.0 -48.16 63.77 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 0.0 111.05 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.478 ' O ' ' CB ' ' A' ' 53' ' ' LEU . 5.8 mt -73.82 -37.16 64.95 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.536 1.148 . . . . 0.0 109.289 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -58.81 -40.0 82.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.12 . . . . 0.0 109.321 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.558 ' CD2' ' HA ' ' A' ' 22' ' ' SER . 16.7 m-85 -92.71 -25.77 18.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.143 . . . . 0.0 110.994 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' CYS . . . . . 0.47 ' N ' ' O ' ' A' ' 48' ' ' PHE . 1.7 m -124.98 64.57 1.13 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 108.323 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.478 ' CB ' ' O ' ' A' ' 49' ' ' LEU . 0.3 OUTLIER -98.97 30.51 3.36 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.56 1.162 . . . . 0.0 109.282 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -168.94 31.61 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.448 1.093 . . . . 0.0 110.302 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.412 HG21 ' HB3' ' A' ' 52' ' ' CYS . 6.4 pt -110.79 -27.95 2.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 109.331 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.401 HD23 ' HA ' ' A' ' 56' ' ' LEU . 30.7 mt -48.75 154.88 1.12 Allowed Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 109.304 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 129.01 11.97 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.483 1.781 . . . . 0.0 111.0 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.8 p -108.09 106.36 16.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 0.0 110.037 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 4.8 t -105.76 138.12 42.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 0.0 110.006 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -156.59 88.81 0.12 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.487 1.117 . . . . 0.0 111.0 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 28.1 m -153.22 98.11 2.24 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.462 0.743 . . . . 0.0 110.012 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 57.92 87.86 0.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 111.012 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 1.4 mtp -77.86 -54.48 6.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 111.035 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -112.83 -137.4 6.89 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.517 1.135 . . . . 0.0 111.016 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -112.15 70.04 0.22 Allowed Glycine 0 CA--C 1.53 1.015 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.6 107.67 10.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 0.769 . . . . 0.0 109.326 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -148.55 165.17 32.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 109.279 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 31.4 p90 -116.73 165.03 13.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 110.98 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 9.9 p -116.96 148.66 19.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.556 1.16 . . . . 0.0 109.288 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 8.1 p -156.1 163.08 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 0.0 109.308 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 11.6 pt20 -159.58 168.86 25.08 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.539 1.149 . . . . 0.0 110.31 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 19.9 m80 -146.01 155.52 42.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.447 1.092 . . . . 0.0 109.642 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 6.6 mp -89.46 175.08 7.44 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.514 1.134 . . . . 0.0 109.315 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 1.1 mmtp -173.86 169.0 4.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 0.0 109.305 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . 2.3 p-90 -124.33 160.48 27.97 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 13.5 t -168.27 165.85 12.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 110.385 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -136.3 99.89 10.68 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.562 1.164 . . . . 0.0 109.321 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 178.76 6.81 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.521 1.801 . . . . 0.0 111.006 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -147.48 171.79 14.97 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 109.993 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -152.55 93.26 0.14 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.471 1.107 . . . . 0.0 110.968 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 179.1 6.42 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.447 1.761 . . . . 0.0 111.03 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 31.9 p -132.54 175.21 9.51 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.5 1.125 . . . . 0.0 110.04 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 50.5 m -160.95 168.71 24.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.966 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 O-C-N 124.538 1.149 . . . . 0.0 110.953 179.991 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 6.4 p . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 110.012 -0.366 . . . . 0.0 110.012 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.809 ' SG ' ' SG ' ' A' ' 45' ' ' CYS . 69.5 m -125.56 53.05 1.58 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.431 1.082 . . . . 0.0 108.311 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 17.0 p -83.63 -47.38 11.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 110.003 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.449 HD23 ' C ' ' A' ' 23' ' ' LEU . 0.4 OUTLIER -120.95 29.75 7.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 109.327 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.718 ' HD2' ' HB3' ' A' ' 27' ' ' ALA . 1.0 OUTLIER -114.71 -93.37 0.49 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.455 1.097 . . . . 0.0 110.277 -179.962 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 35.2 m 59.5 40.11 20.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 108.308 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 166.75 55.38 0.03 OUTLIER Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.489 1.118 . . . . 0.0 110.991 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.718 ' HB3' ' HD2' ' A' ' 24' ' ' ARG . . . -154.4 164.06 39.21 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.515 0.774 . . . . 0.0 109.335 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.42 HE21 ' CG ' ' A' ' 35' ' ' HIS . 83.8 mt-30 -126.28 127.01 44.93 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.481 1.113 . . . . 0.0 110.345 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 17.9 t0 -128.09 177.82 6.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.142 . . . . 0.0 109.308 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -82.93 -51.45 4.22 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.577 1.173 . . . . 0.0 110.962 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 20.5 mt -62.46 -45.79 91.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 0.768 . . . . 0.0 109.306 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.428 ' SG ' ' N ' ' A' ' 33' ' ' SER . 0.8 OUTLIER -146.02 -164.29 1.93 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.545 1.153 . . . . 0.0 108.331 180.0 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.439 ' N ' ' O ' ' A' ' 43' ' ' THR . 15.2 t -159.7 137.55 10.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.437 1.086 . . . . 0.0 110.014 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.484 ' HA ' ' CD1' ' A' ' 48' ' ' PHE . 19.5 m -102.33 22.85 12.66 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 108.254 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.519 ' CG ' ' HD2' ' A' ' 36' ' ' PRO . 0.1 OUTLIER -101.18 153.41 37.8 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 109.634 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.519 ' HD2' ' CG ' ' A' ' 35' ' ' HIS . 18.3 Cg_endo -74.94 -7.13 18.93 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.505 1.792 . . . . 0.0 111.029 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 72.5 p -87.55 -11.43 48.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 110.436 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.444 ' O ' ' N ' ' A' ' 42' ' ' GLY . 15.5 p -57.48 -19.49 24.75 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.113 . . . . 0.0 108.31 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -69.67 -39.9 76.75 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.491 1.12 . . . . 0.0 110.025 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -75.94 -33.24 51.12 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.484 1.115 . . . . 0.0 111.048 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.2 mt -84.89 -65.79 0.97 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 0.756 . . . . 0.0 109.312 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 38' ' ' CYS . . . 116.8 40.8 0.75 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.527 1.142 . . . . 0.0 111.02 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.439 ' O ' ' N ' ' A' ' 33' ' ' SER . 81.8 p -122.7 26.37 8.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 0.766 . . . . 0.0 110.398 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 21.9 m -64.99 144.21 57.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.15 . . . . 0.0 108.269 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . 0.809 ' SG ' ' SG ' ' A' ' 21' ' ' CYS . 0.8 OUTLIER -79.74 161.5 25.71 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.48 1.112 . . . . 0.0 108.273 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.97 -27.29 63.62 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.544 1.152 . . . . 0.0 110.289 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -113.11 14.98 19.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 109.285 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.484 ' CD1' ' HA ' ' A' ' 34' ' ' CYS . 17.0 t80 -68.99 -48.12 63.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.125 . . . . 0.0 111.046 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.498 ' O ' ' CB ' ' A' ' 53' ' ' LEU . 7.8 mt -73.51 -36.06 65.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 109.331 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.522 ' HA ' HD12 ' A' ' 53' ' ' LEU . 0.1 OUTLIER -58.77 -40.16 83.14 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.516 1.135 . . . . 0.0 109.315 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -95.11 -19.57 20.01 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 110.955 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . 0.449 ' N ' ' O ' ' A' ' 48' ' ' PHE . 1.5 m -130.75 63.63 1.58 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 108.309 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.522 HD12 ' HA ' ' A' ' 50' ' ' ASP . 0.2 OUTLIER -99.85 14.85 28.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.555 1.159 . . . . 0.0 109.287 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -162.05 42.74 0.14 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.504 1.127 . . . . 0.0 110.306 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.416 HD13 ' HB3' ' A' ' 52' ' ' CYS . 6.7 pt . . . . . 0 C--N 1.326 -0.439 0 O-C-N 124.498 1.124 . . . . 0.0 109.279 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 39.5 m . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.983 -0.377 . . . . 0.0 109.983 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.798 ' SG ' ' SG ' ' A' ' 45' ' ' CYS . 46.0 m -124.47 57.09 1.26 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.548 1.155 . . . . 0.0 108.294 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 13.4 m -85.72 -47.52 9.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 109.986 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.456 HD23 ' C ' ' A' ' 23' ' ' LEU . 0.4 OUTLIER -120.58 25.84 9.51 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.506 1.129 . . . . 0.0 109.291 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.678 ' HD2' ' HB3' ' A' ' 27' ' ' ALA . 1.5 mtt180 -108.9 -92.19 0.43 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.446 1.091 . . . . 0.0 110.341 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 65.6 m 59.61 40.11 20.54 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.113 . . . . 0.0 108.32 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 168.61 55.19 0.03 OUTLIER Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.547 1.155 . . . . 0.0 110.973 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.678 ' HB3' ' HD2' ' A' ' 24' ' ' ARG . . . -156.36 164.4 38.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 0.768 . . . . 0.0 109.265 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -126.29 127.01 44.92 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.112 . . . . 0.0 110.317 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -128.17 174.99 8.78 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 109.321 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -79.8 -56.55 3.29 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.466 1.104 . . . . 0.0 110.986 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -57.68 -43.46 85.09 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.488 0.758 . . . . 0.0 109.307 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.415 ' SG ' ' N ' ' A' ' 33' ' ' SER . 0.8 OUTLIER -149.05 -165.3 2.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.113 . . . . 0.0 108.295 -179.96 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.436 ' N ' ' O ' ' A' ' 43' ' ' THR . 22.2 t -158.32 138.22 12.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.14 . . . . 0.0 110.01 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.438 ' N ' ' O ' ' A' ' 27' ' ' ALA . 12.1 m -101.55 23.51 11.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.097 . . . . 0.0 108.315 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.519 ' CG ' ' HD2' ' A' ' 36' ' ' PRO . 0.1 OUTLIER -100.83 152.09 37.76 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.112 . . . . 0.0 109.546 -179.952 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.519 ' HD2' ' CG ' ' A' ' 35' ' ' HIS . 18.2 Cg_endo -75.07 -5.65 17.03 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.469 1.773 . . . . 0.0 110.995 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.576 ' O ' HD12 ' A' ' 41' ' ' LEU . 41.9 p -92.7 -6.9 48.21 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.13 . . . . 0.0 110.386 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.439 ' O ' ' N ' ' A' ' 42' ' ' GLY . 18.5 p -62.29 -17.6 59.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 108.277 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 59.6 p -70.64 -40.82 72.84 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 109.982 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -76.07 -33.87 48.67 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.494 1.121 . . . . 0.0 110.958 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.576 HD12 ' O ' ' A' ' 37' ' ' THR . 1.1 mt -81.95 -57.93 3.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 0.76 . . . . 0.0 109.33 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.439 ' N ' ' O ' ' A' ' 38' ' ' CYS . . . 109.89 34.92 2.28 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.529 1.143 . . . . 0.0 111.02 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.436 ' O ' ' N ' ' A' ' 33' ' ' SER . 62.5 p -116.63 24.17 11.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 0.745 . . . . 0.0 110.402 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 52.2 m -65.99 147.17 53.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 108.3 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . 0.798 ' SG ' ' SG ' ' A' ' 21' ' ' CYS . 0.1 OUTLIER -84.46 163.71 19.28 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.468 1.105 . . . . 0.0 108.268 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -75.06 -25.41 58.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 110.299 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -113.01 17.35 18.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 109.327 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.455 ' O ' ' N ' ' A' ' 52' ' ' CYS . 20.2 t80 -69.04 -48.16 63.59 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.469 1.106 . . . . 0.0 110.998 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.453 ' O ' ' CG ' ' A' ' 53' ' ' LEU . 5.3 mt -73.61 -30.97 63.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.552 1.157 . . . . 0.0 109.295 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -58.69 -38.55 78.48 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.538 1.149 . . . . 0.0 109.284 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.488 ' CB ' ' O ' ' A' ' 21' ' ' CYS . 26.8 m-85 -100.89 -22.64 14.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 110.985 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . 0.455 ' N ' ' O ' ' A' ' 48' ' ' PHE . 1.8 m -122.57 65.36 0.95 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 108.285 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.453 ' CG ' ' O ' ' A' ' 49' ' ' LEU . 0.3 OUTLIER -104.18 30.53 5.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 0.0 109.323 179.971 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -175.15 37.04 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.464 1.102 . . . . 0.0 110.302 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 6.5 pt . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 109.284 179.989 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 34.5 m . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 110.029 -0.36 . . . . 0.0 110.029 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.79 ' SG ' ' SG ' ' A' ' 45' ' ' CYS . 64.5 m -124.01 57.12 1.22 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 108.342 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 41.5 p -65.31 -63.75 1.03 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 110.011 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.626 HD12 ' C ' ' A' ' 23' ' ' LEU . 2.6 pp -110.89 -21.54 11.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 109.306 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.724 ' HD2' ' HB3' ' A' ' 27' ' ' ALA . 0.3 OUTLIER -44.53 -94.12 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 110.324 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 41.0 m 59.34 37.94 23.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 108.295 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . 0.439 ' N ' ' O ' ' A' ' 34' ' ' CYS . . . 168.03 56.18 0.03 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.552 1.157 . . . . 0.0 111.004 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.724 ' HB3' ' HD2' ' A' ' 24' ' ' ARG . . . -154.09 169.02 24.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 0.751 . . . . 0.0 109.268 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 18.5 mt-30 -126.15 127.23 45.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.153 . . . . 0.0 110.305 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -128.11 173.1 10.37 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 109.3 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -82.04 -52.52 4.03 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.439 1.087 . . . . 0.0 110.996 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 5.1 mt -63.8 -39.15 93.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.555 0.797 . . . . 0.0 109.291 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.425 ' SG ' ' N ' ' A' ' 33' ' ' SER . 0.8 OUTLIER -150.31 -164.62 2.06 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.464 1.103 . . . . 0.0 108.324 179.973 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.442 ' N ' ' O ' ' A' ' 43' ' ' THR . 11.0 t -160.42 137.23 9.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 110.045 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.439 ' O ' ' N ' ' A' ' 26' ' ' GLY . 13.3 m -102.14 31.27 4.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 108.322 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.521 ' CG ' ' HD2' ' A' ' 36' ' ' PRO . 0.2 OUTLIER -112.24 151.99 44.11 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 109.58 -179.964 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.521 ' HD2' ' CG ' ' A' ' 35' ' ' HIS . 18.3 Cg_endo -74.99 -2.5 12.62 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.514 1.797 . . . . 0.0 111.012 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.492 ' O ' HD12 ' A' ' 41' ' ' LEU . 78.8 p -90.52 -7.86 51.84 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.551 1.157 . . . . 0.0 110.356 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.451 ' O ' ' N ' ' A' ' 42' ' ' GLY . 20.1 p -64.14 -18.32 64.33 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.528 1.143 . . . . 0.0 108.265 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.3 -43.17 78.23 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.118 . . . . 0.0 109.99 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -76.08 -33.97 48.38 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.541 1.151 . . . . 0.0 110.963 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.492 HD12 ' O ' ' A' ' 37' ' ' THR . 1.2 mt -82.81 -68.08 0.73 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.458 0.74 . . . . 0.0 109.279 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.451 ' N ' ' O ' ' A' ' 38' ' ' CYS . . . 118.98 41.77 0.58 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.536 1.148 . . . . 0.0 110.984 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.442 ' O ' ' N ' ' A' ' 33' ' ' SER . 82.8 p -121.98 23.29 10.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.448 0.734 . . . . 0.0 110.387 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 27.4 m -63.28 144.68 56.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.106 . . . . 0.0 108.312 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . 0.79 ' SG ' ' SG ' ' A' ' 21' ' ' CYS . 0.8 OUTLIER -82.94 160.59 22.04 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.556 1.16 . . . . 0.0 108.291 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -71.17 -26.51 63.01 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.534 1.146 . . . . 0.0 110.297 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -113.1 15.29 19.55 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 109.305 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.458 ' O ' ' N ' ' A' ' 52' ' ' CYS . 16.4 t80 -69.0 -48.02 64.09 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 110.998 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.493 ' O ' ' CB ' ' A' ' 53' ' ' LEU . 9.0 mt -73.51 -35.85 65.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 109.265 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.43 ' HA ' HD12 ' A' ' 53' ' ' LEU . 1.0 OUTLIER -58.81 -40.73 84.97 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.469 1.106 . . . . 0.0 109.308 -179.967 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -93.85 -22.3 18.73 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.496 1.122 . . . . 0.0 111.026 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . 0.503 ' HB3' HG21 ' A' ' 55' ' ' ILE . 1.7 m -128.67 64.21 1.44 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 108.32 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.493 ' CB ' ' O ' ' A' ' 49' ' ' LEU . 0.3 OUTLIER -97.85 13.93 28.86 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.544 1.153 . . . . 0.0 109.241 -179.943 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -157.91 40.67 0.28 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.541 1.151 . . . . 0.0 110.249 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.503 HG21 ' HB3' ' A' ' 52' ' ' CYS . 6.4 pt . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.151 . . . . 0.0 109.305 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 5.8 p . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.997 -0.372 . . . . 0.0 109.997 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.714 ' SG ' ' SG ' ' A' ' 45' ' ' CYS . 66.1 m -127.02 48.85 2.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 0.0 108.314 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -75.79 -53.85 7.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.14 . . . . 0.0 109.992 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.494 ' N ' HD13 ' A' ' 23' ' ' LEU . 0.0 OUTLIER -117.93 36.28 4.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.554 1.159 . . . . 0.0 109.322 179.975 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.695 ' HD2' ' HB3' ' A' ' 27' ' ' ALA . 0.3 OUTLIER -120.45 -93.68 0.51 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.14 . . . . 0.0 110.274 -179.951 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 51.7 m 59.87 40.04 19.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 108.328 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 166.87 55.44 0.03 OUTLIER Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.487 1.117 . . . . 0.0 111.002 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.695 ' HB3' ' HD2' ' A' ' 24' ' ' ARG . . . -153.63 165.83 34.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 0.758 . . . . 0.0 109.31 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 75.9 mt-30 -126.22 127.02 45.0 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.455 1.097 . . . . 0.0 110.304 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.491 ' CB ' ' O ' ' A' ' 32' ' ' CYS . 0.1 OUTLIER -128.39 177.61 6.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 0.0 109.272 -179.968 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -83.22 -52.28 3.85 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.486 1.116 . . . . 0.0 111.021 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 21.2 mt -63.99 -44.69 91.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 0.775 . . . . 0.0 109.338 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.491 ' O ' ' CB ' ' A' ' 29' ' ' ASP . 0.8 OUTLIER -149.38 -179.77 7.32 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 108.285 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.428 ' N ' ' O ' ' A' ' 43' ' ' THR . 23.0 t -144.66 140.76 28.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.432 1.082 . . . . 0.0 110.005 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.409 ' N ' ' O ' ' A' ' 27' ' ' ALA . 22.2 m -104.33 21.62 16.3 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.559 1.162 . . . . 0.0 108.288 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.523 ' CG ' ' HD2' ' A' ' 36' ' ' PRO . 0.2 OUTLIER -98.66 151.5 37.47 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 0.0 109.577 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.523 ' HD2' ' CG ' ' A' ' 35' ' ' HIS . 18.4 Cg_endo -74.95 -2.22 12.24 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.459 1.768 . . . . 0.0 111.04 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.796 ' O ' HD12 ' A' ' 41' ' ' LEU . 31.7 p -94.48 -8.5 38.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 110.447 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.44 ' O ' ' N ' ' A' ' 42' ' ' GLY . 19.6 p -61.85 -21.52 64.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.115 . . . . 0.0 108.296 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 20.7 t -66.71 -42.06 86.99 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.518 1.136 . . . . 0.0 109.957 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -75.74 -30.32 58.07 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.49 1.119 . . . . 0.0 111.0 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.796 HD12 ' O ' ' A' ' 37' ' ' THR . 1.1 mt -84.35 -68.5 0.71 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 0.757 . . . . 0.0 109.303 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 38' ' ' CYS . . . 120.4 40.03 0.6 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.548 1.155 . . . . 0.0 110.948 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.428 ' O ' ' N ' ' A' ' 33' ' ' SER . 30.8 p -124.74 24.1 7.81 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 0.767 . . . . 0.0 110.399 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 32.2 m -65.44 145.61 55.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 108.271 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . 0.714 ' SG ' ' SG ' ' A' ' 21' ' ' CYS . 0.8 OUTLIER -79.54 160.37 26.51 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.556 1.16 . . . . 0.0 108.327 179.947 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -70.7 -26.28 63.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.148 . . . . 0.0 110.298 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 28.1 p30 -113.39 18.85 17.45 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.454 1.096 . . . . 0.0 109.315 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.455 ' O ' ' N ' ' A' ' 52' ' ' CYS . 13.0 t80 -69.33 -48.21 62.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 111.003 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.454 ' O ' ' CB ' ' A' ' 53' ' ' LEU . 5.9 mt -73.66 -35.07 65.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 109.287 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -58.58 -38.96 79.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 109.307 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -97.02 -20.75 17.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.457 1.098 . . . . 0.0 110.982 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . 0.455 ' N ' ' O ' ' A' ' 48' ' ' PHE . 1.9 m -127.58 64.13 1.35 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 108.298 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.454 ' CB ' ' O ' ' A' ' 49' ' ' LEU . 0.3 OUTLIER -101.81 31.09 4.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 109.268 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -176.2 37.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 110.294 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 6.8 pt . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.454 1.096 . . . . 0.0 109.309 179.996 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 9.2 p . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 110.034 -0.358 . . . . 0.0 110.034 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.776 ' SG ' ' SG ' ' A' ' 45' ' ' CYS . 62.9 m -126.7 50.39 1.95 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.108 . . . . 0.0 108.302 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 4.1 m -80.71 -50.67 9.6 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.994 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -114.71 34.07 5.0 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.536 1.147 . . . . 0.0 109.315 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.7 ' HD2' ' HB3' ' A' ' 27' ' ' ALA . 0.6 OUTLIER -121.79 -93.43 0.52 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 110.332 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 59.9 m 59.37 40.26 21.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 108.286 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 167.32 54.86 0.03 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.54 1.15 . . . . 0.0 110.965 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.7 ' HB3' ' HD2' ' A' ' 24' ' ' ARG . . . -154.22 166.25 33.73 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.488 0.758 . . . . 0.0 109.312 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.488 ' NE2' ' ND1' ' A' ' 35' ' ' HIS . 3.1 mm-40 -126.17 127.02 45.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.575 1.172 . . . . 0.0 110.255 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -128.22 177.69 6.76 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.515 1.134 . . . . 0.0 109.297 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -83.96 -56.65 2.55 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.489 1.118 . . . . 0.0 110.99 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 6.6 mt -58.89 -45.37 90.39 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 0.753 . . . . 0.0 109.315 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -145.48 -170.11 3.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.11 . . . . 0.0 108.268 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.446 ' N ' ' O ' ' A' ' 43' ' ' THR . 7.1 t -153.74 138.22 16.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 0.0 110.028 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 11.7 m -102.3 20.62 16.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 0.0 108.326 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.523 ' CG ' ' HD2' ' A' ' 36' ' ' PRO . 0.1 OUTLIER -95.39 151.63 38.77 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.466 1.104 . . . . 0.0 109.596 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.523 ' HD2' ' CG ' ' A' ' 35' ' ' HIS . 18.5 Cg_endo -74.94 0.15 9.22 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.487 1.783 . . . . 0.0 111.031 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -96.61 -9.0 30.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 110.366 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.442 ' O ' ' N ' ' A' ' 42' ' ' GLY . 12.9 p -52.72 -22.47 5.26 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 108.291 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.36 -44.59 67.79 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 110.035 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -76.22 -33.73 48.35 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.493 1.121 . . . . 0.0 111.015 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 67.9 mt -81.05 -59.56 2.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 0.742 . . . . 0.0 109.275 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.442 ' N ' ' O ' ' A' ' 38' ' ' CYS . . . 112.65 27.94 3.64 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.504 1.128 . . . . 0.0 111.052 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.446 ' O ' ' N ' ' A' ' 33' ' ' SER . 47.2 p -116.86 44.54 2.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 0.758 . . . . 0.0 110.396 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 39.5 m -79.62 146.64 32.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 108.269 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . 0.776 ' SG ' ' SG ' ' A' ' 21' ' ' CYS . 1.3 m -86.18 163.27 17.91 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.545 1.153 . . . . 0.0 108.297 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -74.59 -28.07 60.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.113 . . . . 0.0 110.314 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -113.13 18.08 18.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 109.282 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.455 ' O ' ' N ' ' A' ' 52' ' ' CYS . 22.7 t80 -69.05 -48.42 62.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 110.978 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.45 ' O ' ' CB ' ' A' ' 53' ' ' LEU . 4.9 mt -73.76 -31.81 63.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.142 . . . . 0.0 109.292 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -58.74 -39.48 81.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.304 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 22.2 m-85 -99.31 -21.96 15.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 110.984 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . 0.476 ' HB3' HD13 ' A' ' 55' ' ' ILE . 1.7 m -124.02 64.94 1.05 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 108.283 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.45 ' CB ' ' O ' ' A' ' 49' ' ' LEU . 0.3 OUTLIER -102.56 29.38 5.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 109.298 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -174.65 38.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 0.0 110.291 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.476 HD13 ' HB3' ' A' ' 52' ' ' CYS . 9.5 pt . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 109.262 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 45.1 t . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 110.06 -0.348 . . . . 0.0 110.06 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.834 ' SG ' ' SG ' ' A' ' 45' ' ' CYS . 71.6 m -126.85 48.56 2.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 108.328 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.595 ' O ' ' CD1' ' A' ' 51' ' ' TYR . 0.2 OUTLIER -48.26 -73.3 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 110.046 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.967 ' O ' HD22 ' A' ' 23' ' ' LEU . 0.0 OUTLIER -114.1 -4.43 13.15 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 0.0 109.268 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.613 ' N ' HD13 ' A' ' 23' ' ' LEU . 5.4 mmp_? -46.87 -93.19 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 110.281 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 87.5 m 59.33 40.3 21.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.145 . . . . 0.0 108.298 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 166.1 55.98 0.03 OUTLIER Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.521 1.138 . . . . 0.0 110.981 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.413 ' O ' ' N ' ' A' ' 34' ' ' CYS . . . -156.13 159.12 38.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.543 0.79 . . . . 0.0 109.277 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.43 ' CG ' ' HB2' ' A' ' 35' ' ' HIS . 61.2 mt-30 -126.05 127.15 45.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 110.252 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -128.37 177.05 7.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 109.282 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -81.73 -58.64 2.48 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.551 1.157 . . . . 0.0 111.014 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.7 mt -57.22 -45.28 83.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.55 0.794 . . . . 0.0 109.309 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.41 ' HA ' ' O ' ' A' ' 43' ' ' THR . 0.7 OUTLIER -146.39 -168.96 3.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.103 . . . . 0.0 108.347 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.443 ' N ' ' O ' ' A' ' 43' ' ' THR . 38.0 t -159.16 144.73 16.17 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.983 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.426 ' HA ' ' CD1' ' A' ' 48' ' ' PHE . 7.8 m -106.72 14.28 27.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.112 . . . . 0.0 108.299 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.44 ' CG ' ' HD2' ' A' ' 36' ' ' PRO . 0.0 OUTLIER -88.05 154.85 52.5 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.451 1.094 . . . . 0.0 109.608 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.44 ' HD2' ' CG ' ' A' ' 35' ' ' HIS . 18.2 Cg_endo -75.0 -18.27 18.86 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.472 1.775 . . . . 0.0 110.999 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.531 ' O ' HD12 ' A' ' 41' ' ' LEU . 21.0 p -82.03 -11.67 58.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 110.381 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.4 ' SG ' ' O ' ' A' ' 35' ' ' HIS . 14.3 p -57.93 -18.94 26.46 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.554 1.159 . . . . 0.0 108.344 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 15.6 t -70.78 -42.62 70.14 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.537 1.148 . . . . 0.0 109.998 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -74.66 -33.4 55.85 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.487 1.117 . . . . 0.0 110.977 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.531 HD12 ' O ' ' A' ' 37' ' ' THR . 1.1 mt -81.47 -54.35 5.52 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 0.762 . . . . 0.0 109.294 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 105.47 37.89 2.53 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.482 1.114 . . . . 0.0 110.981 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.443 ' O ' ' N ' ' A' ' 33' ' ' SER . 41.5 p -118.04 18.39 13.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.557 0.798 . . . . 0.0 110.375 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 61.7 m -61.91 149.27 40.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.456 1.098 . . . . 0.0 108.299 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . 0.834 ' SG ' ' SG ' ' A' ' 21' ' ' CYS . 0.8 OUTLIER -86.53 169.2 13.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 108.28 -179.967 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -78.98 -22.64 45.3 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.511 1.132 . . . . 0.0 110.281 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 32.3 p30 -113.01 15.02 19.74 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.285 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.453 ' O ' ' N ' ' A' ' 52' ' ' CYS . 22.6 t80 -68.73 -48.16 64.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.455 1.097 . . . . 0.0 110.997 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.49 ' O ' ' CB ' ' A' ' 53' ' ' LEU . 8.5 mt -73.47 -35.09 65.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 109.273 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.446 ' HA ' HD12 ' A' ' 53' ' ' LEU . 0.1 OUTLIER -58.6 -39.77 81.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 109.303 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.595 ' CD1' ' O ' ' A' ' 22' ' ' SER . 6.3 m-85 -95.58 -22.13 17.81 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 111.038 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . 0.471 ' HB3' HD13 ' A' ' 55' ' ' ILE . 1.8 m -128.15 64.63 1.39 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 108.331 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.49 ' CB ' ' O ' ' A' ' 49' ' ' LEU . 0.2 OUTLIER -99.77 28.44 4.73 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.528 1.142 . . . . 0.0 109.254 -179.948 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -177.74 40.88 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.474 1.109 . . . . 0.0 110.317 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.471 HD13 ' HB3' ' A' ' 52' ' ' CYS . 7.2 pt . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 109.313 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.2 t . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 110.037 -0.357 . . . . 0.0 110.037 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.875 ' SG ' ' SG ' ' A' ' 45' ' ' CYS . 70.7 m -126.86 49.2 2.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.46 1.1 . . . . 0.0 108.311 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 15.6 m -83.9 -51.37 7.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 0.0 110.008 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.416 HD23 ' C ' ' A' ' 23' ' ' LEU . 0.5 OUTLIER -112.52 30.76 6.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 109.331 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.716 ' HD2' ' HB3' ' A' ' 27' ' ' ALA . 0.4 OUTLIER -119.31 -92.58 0.53 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.522 1.139 . . . . 0.0 110.276 -179.964 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 62.2 m 59.61 40.21 20.41 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.104 . . . . 0.0 108.273 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 165.3 57.41 0.02 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.454 1.097 . . . . 0.0 111.043 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.716 ' HB3' ' HD2' ' A' ' 24' ' ' ARG . . . -156.2 167.22 31.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 0.777 . . . . 0.0 109.306 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 76.2 mt-30 -126.23 126.96 44.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 110.29 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -128.33 174.64 9.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 109.312 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -81.11 -46.95 6.77 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.485 1.116 . . . . 0.0 110.951 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 25.7 mt -65.96 -32.22 73.58 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.525 0.779 . . . . 0.0 109.287 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.414 ' HA ' ' O ' ' A' ' 43' ' ' THR . 24.9 p -166.76 -168.82 1.2 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 108.283 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 27.7 t -148.59 137.56 21.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.128 . . . . 0.0 110.009 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.423 ' N ' ' O ' ' A' ' 27' ' ' ALA . 13.7 m -100.21 4.21 44.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 108.291 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.513 ' CG ' ' HD2' ' A' ' 36' ' ' PRO . 0.4 OUTLIER -74.93 149.47 85.42 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 109.64 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.513 ' HD2' ' CG ' ' A' ' 35' ' ' HIS . 18.2 Cg_endo -75.05 -1.61 11.47 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.491 1.785 . . . . 0.0 110.993 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 38.1 p -99.93 -3.18 32.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 110.415 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.418 ' O ' ' N ' ' A' ' 42' ' ' GLY . 20.7 p -69.65 -20.72 63.58 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.593 1.183 . . . . 0.0 108.305 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 21.0 p -63.51 -41.87 98.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 110.018 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -73.94 -27.51 66.54 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.465 1.103 . . . . 0.0 110.993 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.408 ' N ' ' CD2' ' A' ' 41' ' ' LEU . 0.1 OUTLIER -83.9 -67.56 0.78 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.496 0.763 . . . . 0.0 109.297 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.418 ' N ' ' O ' ' A' ' 38' ' ' CYS . . . 117.72 39.63 0.76 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.508 1.13 . . . . 0.0 110.965 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.414 ' O ' ' HA ' ' A' ' 32' ' ' CYS . 20.2 p -119.14 -3.28 10.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 0.771 . . . . 0.0 110.374 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . 0.416 ' HB3' ' CD2' ' A' ' 48' ' ' PHE . 20.7 m -42.7 143.7 0.66 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 108.296 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . 0.875 ' SG ' ' SG ' ' A' ' 21' ' ' CYS . 1.9 m -72.51 160.63 31.97 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.553 1.158 . . . . 0.0 108.31 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -69.64 -23.2 63.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.45 1.094 . . . . 0.0 110.299 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -112.87 19.59 17.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.328 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.463 ' O ' ' N ' ' A' ' 52' ' ' CYS . 23.2 t80 -66.91 -48.09 69.76 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 111.024 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.586 HD23 ' O ' ' A' ' 52' ' ' CYS . 11.0 mt -73.52 -30.67 63.25 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.52 1.138 . . . . 0.0 109.287 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -58.73 -33.6 70.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 109.289 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.464 ' CB ' ' O ' ' A' ' 21' ' ' CYS . 37.2 m-85 -107.9 -17.88 13.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.451 1.094 . . . . 0.0 111.001 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . 0.586 ' O ' HD23 ' A' ' 49' ' ' LEU . 2.0 m -127.22 66.84 1.29 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.118 . . . . 0.0 108.308 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -107.03 29.85 6.7 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 0.0 109.279 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -177.88 38.96 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 110.31 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 6.0 pt . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.537 1.148 . . . . 0.0 109.284 -179.98 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 4.2 t . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.993 -0.373 . . . . 0.0 109.993 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.791 ' SG ' ' SG ' ' A' ' 45' ' ' CYS . 72.5 m -126.52 45.6 2.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 108.334 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.499 ' HA ' ' CG ' ' A' ' 51' ' ' TYR . 43.7 p -81.44 -51.68 8.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 110.011 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -109.22 32.53 4.89 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 109.302 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.719 ' HD2' ' HB3' ' A' ' 27' ' ' ALA . 0.3 OUTLIER -124.45 -93.8 0.5 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.101 . . . . 0.0 110.298 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 47.0 m 59.42 40.16 21.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 108.305 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . 0.412 ' N ' ' O ' ' A' ' 34' ' ' CYS . . . 165.36 56.04 0.02 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.531 1.144 . . . . 0.0 111.007 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.719 ' HB3' ' HD2' ' A' ' 24' ' ' ARG . . . -154.62 167.76 29.04 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.509 0.77 . . . . 0.0 109.308 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -126.31 126.93 44.75 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.562 1.164 . . . . 0.0 110.315 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -128.4 177.08 7.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.311 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -83.88 -55.31 2.84 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.53 1.144 . . . . 0.0 110.978 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -58.88 -41.57 87.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 0.753 . . . . 0.0 109.299 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.45 ' SG ' ' N ' ' A' ' 33' ' ' SER . 1.1 p -150.13 -161.72 1.4 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 108.319 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.45 ' N ' ' SG ' ' A' ' 32' ' ' CYS . 9.2 t -160.78 137.99 9.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.155 . . . . 0.0 110.017 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.412 ' O ' ' N ' ' A' ' 26' ' ' GLY . 10.3 m -103.4 25.28 9.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 108.329 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.524 ' CG ' ' HD2' ' A' ' 36' ' ' PRO . 0.1 OUTLIER -101.54 152.78 38.11 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 109.65 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.524 ' HD2' ' CG ' ' A' ' 35' ' ' HIS . 18.3 Cg_endo -75.0 -0.96 10.61 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.555 1.818 . . . . 0.0 111.002 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.764 ' O ' HD12 ' A' ' 41' ' ' LEU . 4.4 p -102.21 6.06 40.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 110.391 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.435 ' O ' ' N ' ' A' ' 42' ' ' GLY . 19.3 p -68.12 -20.49 64.92 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.469 1.105 . . . . 0.0 108.317 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -70.07 -44.01 70.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 109.957 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -70.2 -32.17 68.98 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.47 1.106 . . . . 0.0 110.979 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.764 HD12 ' O ' ' A' ' 37' ' ' THR . 1.3 mt -84.67 -63.75 1.28 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.542 0.789 . . . . 0.0 109.291 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.435 ' N ' ' O ' ' A' ' 38' ' ' CYS . . . 115.05 37.65 1.11 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.544 1.153 . . . . 0.0 111.017 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.443 ' O ' ' N ' ' A' ' 33' ' ' SER . 61.5 p -123.42 27.28 7.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 0.784 . . . . 0.0 110.343 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 37.0 m -65.99 145.96 55.26 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 108.27 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . 0.791 ' SG ' ' SG ' ' A' ' 21' ' ' CYS . 0.0 OUTLIER -88.49 151.36 22.58 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.456 1.097 . . . . 0.0 108.309 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -67.47 -18.48 65.08 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.476 1.11 . . . . 0.0 110.328 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 27.9 p30 -112.98 17.65 18.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 109.278 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.721 ' CZ ' HD11 ' A' ' 55' ' ' ILE . 14.1 t80 -68.99 -48.51 62.93 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.123 . . . . 0.0 111.013 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.693 ' N ' HD13 ' A' ' 49' ' ' LEU . 0.0 OUTLIER -73.96 -30.47 62.54 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 109.321 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -58.05 -37.03 73.63 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 1.135 . . . . 0.0 109.319 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.5 ' CB ' ' O ' ' A' ' 21' ' ' CYS . 36.3 m-85 -106.01 -16.82 14.52 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 111.012 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . 0.55 ' HB3' HD13 ' A' ' 55' ' ' ILE . 0.3 OUTLIER -132.98 67.4 1.53 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.558 1.161 . . . . 0.0 108.304 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.41 ' CB ' ' O ' ' A' ' 49' ' ' LEU . 0.5 OUTLIER -98.27 30.68 3.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 109.289 -179.976 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -177.76 40.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.564 1.165 . . . . 0.0 110.304 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.721 HD11 ' CZ ' ' A' ' 48' ' ' PHE . 10.8 pt . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.302 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.3 t . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.991 -0.374 . . . . 0.0 109.991 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.77 ' SG ' ' SG ' ' A' ' 45' ' ' CYS . 57.0 m -124.09 58.11 1.19 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.538 1.149 . . . . 0.0 108.323 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 4.9 t -65.71 -64.77 0.78 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.458 1.099 . . . . 0.0 109.961 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.427 HD23 ' N ' ' A' ' 24' ' ' ARG . 0.4 OUTLIER -116.89 -4.04 11.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 0.0 109.346 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.679 ' HD2' ' HB3' ' A' ' 27' ' ' ALA . 0.4 OUTLIER -60.82 -92.08 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 110.285 -179.954 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 56.9 m 59.76 40.04 20.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.099 . . . . 0.0 108.3 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . 0.415 ' N ' ' O ' ' A' ' 34' ' ' CYS . . . 168.1 55.8 0.03 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.448 1.093 . . . . 0.0 110.976 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.679 ' HB3' ' HD2' ' A' ' 24' ' ' ARG . . . -156.2 166.79 32.42 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.484 0.755 . . . . 0.0 109.262 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -126.31 126.94 44.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 110.315 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -128.2 173.57 10.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 109.316 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -78.12 -55.99 3.89 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.508 1.13 . . . . 0.0 110.999 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.507 HD22 ' H ' ' A' ' 31' ' ' LEU . 3.0 mm? -58.6 -47.13 85.37 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 0.77 . . . . 0.0 109.311 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.407 ' HA ' ' O ' ' A' ' 43' ' ' THR . 0.8 OUTLIER -146.03 -168.25 2.94 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.155 . . . . 0.0 108.347 179.978 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.436 ' N ' ' O ' ' A' ' 43' ' ' THR . 22.3 t -154.04 140.98 19.25 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.48 1.112 . . . . 0.0 110.024 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.423 ' N ' ' O ' ' A' ' 27' ' ' ALA . 20.7 m -104.88 27.39 8.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.152 . . . . 0.0 108.269 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.514 ' CG ' ' HD2' ' A' ' 36' ' ' PRO . 0.2 OUTLIER -107.53 150.74 40.49 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.585 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.514 ' HD2' ' CG ' ' A' ' 35' ' ' HIS . 18.1 Cg_endo -75.07 0.14 9.29 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.485 1.781 . . . . 0.0 111.028 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.537 ' O ' HD12 ' A' ' 41' ' ' LEU . 30.4 p -95.17 -7.2 39.86 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.552 1.158 . . . . 0.0 110.413 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.449 ' O ' ' N ' ' A' ' 42' ' ' GLY . 19.7 p -63.98 -20.21 65.72 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.522 1.138 . . . . 0.0 108.306 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 85.6 p -67.22 -41.5 85.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.14 . . . . 0.0 110.002 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -76.05 -33.63 49.46 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.445 1.091 . . . . 0.0 110.965 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.537 HD12 ' O ' ' A' ' 37' ' ' THR . 1.0 OUTLIER -82.65 -68.39 0.71 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 0.749 . . . . 0.0 109.293 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 38' ' ' CYS . . . 120.76 42.05 0.5 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.472 1.108 . . . . 0.0 110.981 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.436 ' O ' ' N ' ' A' ' 33' ' ' SER . 75.4 p -124.21 24.02 8.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 0.771 . . . . 0.0 110.409 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 55.8 m -64.73 147.36 53.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 108.318 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . 0.77 ' SG ' ' SG ' ' A' ' 21' ' ' CYS . 0.0 OUTLIER -87.08 161.56 18.07 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.503 1.127 . . . . 0.0 108.312 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -73.52 -26.93 61.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 110.324 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -109.58 16.39 22.23 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.51 1.131 . . . . 0.0 109.339 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.458 ' O ' ' N ' ' A' ' 52' ' ' CYS . 18.6 t80 -68.89 -48.07 64.27 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.533 1.146 . . . . 0.0 111.026 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.452 ' O ' ' CB ' ' A' ' 53' ' ' LEU . 6.5 mt -73.56 -33.81 64.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.123 . . . . 0.0 109.301 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -58.79 -38.95 79.68 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.121 . . . . 0.0 109.313 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.414 ' CB ' ' O ' ' A' ' 21' ' ' CYS . 4.8 m-85 -98.1 -20.79 17.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 0.0 111.024 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . 0.458 ' N ' ' O ' ' A' ' 48' ' ' PHE . 1.8 m -126.22 64.29 1.24 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.549 1.155 . . . . 0.0 108.307 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.452 ' CB ' ' O ' ' A' ' 49' ' ' LEU . 0.3 OUTLIER -103.03 30.88 4.53 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 109.281 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -176.76 37.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 110.328 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 6.1 pt . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 0.0 109.312 -179.985 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.969 -0.382 . . . . 0.0 109.969 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.776 ' SG ' ' SG ' ' A' ' 45' ' ' CYS . 61.9 m -123.9 54.78 1.3 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.142 . . . . 0.0 108.325 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 38.8 t -64.8 -62.87 1.3 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.148 . . . . 0.0 110.007 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.565 HD12 ' N ' ' A' ' 24' ' ' ARG . 3.9 pp -110.6 -23.0 11.34 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 0.0 109.273 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.729 ' HD2' ' HB3' ' A' ' 27' ' ' ALA . 0.3 OUTLIER -44.17 -94.32 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.146 . . . . 0.0 110.344 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 33.5 m 59.22 40.12 21.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 108.291 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . 0.434 ' N ' ' O ' ' A' ' 34' ' ' CYS . . . 166.39 54.76 0.03 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.527 1.142 . . . . 0.0 110.967 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.729 ' HB3' ' HD2' ' A' ' 24' ' ' ARG . . . -154.03 165.73 35.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 0.744 . . . . 0.0 109.296 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 31.9 mt-30 -126.14 126.99 45.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.441 1.088 . . . . 0.0 110.344 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -128.33 176.52 7.63 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.289 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -83.1 -51.33 4.22 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.441 1.088 . . . . 0.0 111.01 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.4 -38.46 89.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 0.756 . . . . 0.0 109.317 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.433 ' SG ' ' N ' ' A' ' 33' ' ' SER . 1.1 p -154.27 -161.99 1.33 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.109 . . . . 0.0 108.345 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.435 ' N ' ' O ' ' A' ' 43' ' ' THR . 27.5 t -161.19 137.37 8.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 109.99 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.446 ' N ' ' O ' ' A' ' 27' ' ' ALA . 19.2 m -102.6 28.62 5.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.551 1.157 . . . . 0.0 108.299 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.521 ' CG ' ' HD2' ' A' ' 36' ' ' PRO . 0.1 OUTLIER -109.78 152.68 43.06 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.125 . . . . 0.0 109.56 -179.969 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.521 ' HD2' ' CG ' ' A' ' 35' ' ' HIS . 18.3 Cg_endo -74.95 -3.34 13.77 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.505 1.792 . . . . 0.0 111.024 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.671 ' O ' HD12 ' A' ' 41' ' ' LEU . 30.9 p -93.07 0.75 57.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 0.0 110.36 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.439 ' O ' ' N ' ' A' ' 42' ' ' GLY . 22.2 p -74.42 -13.7 60.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 108.287 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 6.3 t -70.88 -42.28 70.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.144 . . . . 0.0 109.988 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -75.96 -34.07 48.63 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.513 1.133 . . . . 0.0 111.013 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.671 HD12 ' O ' ' A' ' 37' ' ' THR . 1.6 mt -82.31 -59.82 2.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 0.776 . . . . 0.0 109.315 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.439 ' N ' ' O ' ' A' ' 38' ' ' CYS . . . 110.79 32.54 2.64 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.504 1.128 . . . . 0.0 111.022 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.435 ' O ' ' N ' ' A' ' 33' ' ' SER . 47.0 p -110.64 21.21 16.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 0.768 . . . . 0.0 110.365 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 39.5 m -63.69 146.65 53.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 108.27 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . 0.776 ' SG ' ' SG ' ' A' ' 21' ' ' CYS . 0.4 OUTLIER -84.41 167.76 16.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.107 . . . . 0.0 108.253 -179.962 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -77.54 -25.59 50.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 110.325 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.6 p30 -112.9 15.05 19.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.266 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.466 ' O ' ' N ' ' A' ' 52' ' ' CYS . 13.4 t80 -69.1 -48.2 63.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 110.977 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.495 ' O ' ' CB ' ' A' ' 53' ' ' LEU . 10.0 mt -73.68 -35.82 65.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 109.336 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.442 ' HA ' HD12 ' A' ' 53' ' ' LEU . 0.3 OUTLIER -58.76 -40.76 84.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 109.362 179.964 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -94.06 -22.87 18.24 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 110.985 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . 0.506 ' HB3' HG21 ' A' ' 55' ' ' ILE . 1.0 OUTLIER -128.52 64.72 1.42 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 108.275 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.495 ' CB ' ' O ' ' A' ' 49' ' ' LEU . 0.2 OUTLIER -97.45 12.83 31.93 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.452 1.095 . . . . 0.0 109.298 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -163.34 45.79 0.12 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.463 1.102 . . . . 0.0 110.306 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.506 HG21 ' HB3' ' A' ' 52' ' ' CYS . 6.8 pt . . . . . 0 C--N 1.324 -0.513 0 O-C-N 124.532 1.145 . . . . 0.0 109.31 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.1 m . . . . . 0 N--CA 1.454 -0.266 0 N-CA-C 109.979 -0.378 . . . . 0.0 109.979 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 20.4 m -94.76 73.43 3.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 108.346 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.5 -36.52 76.57 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.458 1.099 . . . . 0.0 109.964 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.897 HD22 ' O ' ' A' ' 23' ' ' LEU . 0.0 OUTLIER -167.94 32.13 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 0.0 109.303 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 17.0 mmm180 -90.71 -70.71 0.66 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 110.277 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 95.3 m 58.71 21.42 8.85 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 108.322 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 177.49 74.17 0.06 OUTLIER Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.447 1.092 . . . . 0.0 111.006 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -160.21 153.43 21.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.456 0.739 . . . . 0.0 109.351 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 28.7 mt-30 -120.57 126.82 51.28 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.132 . . . . 0.0 110.267 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -128.29 178.03 6.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 109.28 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -87.32 -29.18 22.92 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.482 1.114 . . . . 0.0 110.992 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 12.0 mt -86.39 -41.04 14.81 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.471 0.748 . . . . 0.0 109.27 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.401 ' HA ' ' O ' ' A' ' 43' ' ' THR . 0.6 OUTLIER -154.72 -176.95 6.16 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.512 1.132 . . . . 0.0 108.318 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.448 ' N ' ' O ' ' A' ' 43' ' ' THR . 25.9 t -152.02 136.43 16.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 110.044 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.439 ' HA ' ' CD1' ' A' ' 48' ' ' PHE . 23.1 m -97.42 10.52 39.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.458 1.099 . . . . 0.0 108.345 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.525 ' CG ' ' HD2' ' A' ' 36' ' ' PRO . 0.7 OUTLIER -83.9 147.99 52.9 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.125 . . . . 0.0 109.628 179.988 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.525 ' HD2' ' CG ' ' A' ' 35' ' ' HIS . 18.4 Cg_endo -74.93 -5.54 16.93 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.484 1.781 . . . . 0.0 111.052 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 82.2 p -93.77 -4.07 50.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.143 . . . . 0.0 110.407 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.442 ' O ' ' N ' ' A' ' 42' ' ' GLY . 20.7 p -68.23 -17.85 64.41 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.515 1.135 . . . . 0.0 108.317 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 7.7 t -66.33 -44.39 83.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 110.027 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -76.18 -27.99 61.01 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.56 1.162 . . . . 0.0 111.025 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 11.5 mt -82.88 -65.22 1.04 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 0.754 . . . . 0.0 109.288 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.442 ' N ' ' O ' ' A' ' 38' ' ' CYS . . . 116.66 40.34 0.79 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.536 1.148 . . . . 0.0 110.976 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.448 ' O ' ' N ' ' A' ' 33' ' ' SER . 72.8 p -125.41 19.81 8.08 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.511 0.771 . . . . 0.0 110.388 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 60.5 m -63.09 148.74 47.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.146 . . . . 0.0 108.288 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -84.77 164.92 18.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 108.273 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -80.72 -22.58 40.15 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.577 1.173 . . . . 0.0 110.299 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -113.06 12.96 19.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 109.302 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.439 ' CD1' ' HA ' ' A' ' 34' ' ' CYS . 11.1 t80 -67.75 -48.41 66.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 110.983 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.471 ' O ' ' CG ' ' A' ' 53' ' ' LEU . 10.6 mt -73.89 -34.26 64.35 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 109.3 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -62.13 -30.4 71.01 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.464 1.103 . . . . 0.0 109.343 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 6.5 m-85 -100.54 -29.35 12.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 111.039 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . 0.475 ' HB3' ' CG2' ' A' ' 55' ' ' ILE . 4.8 m -127.17 71.15 1.31 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 108.263 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.471 ' CG ' ' O ' ' A' ' 49' ' ' LEU . 0.2 OUTLIER -102.31 32.57 3.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.143 . . . . 0.0 109.311 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -172.41 37.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 110.283 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.475 ' CG2' ' HB3' ' A' ' 52' ' ' CYS . 6.9 pt . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 109.308 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 68.2 m . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 110.03 -0.359 . . . . 0.0 110.03 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.911 ' SG ' ' SG ' ' A' ' 45' ' ' CYS . 79.0 m -128.51 40.57 3.63 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 108.276 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.541 ' HA ' ' CD1' ' A' ' 51' ' ' TYR . 1.1 p -73.22 -53.59 10.54 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.454 1.096 . . . . 0.0 109.977 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -111.21 42.3 1.68 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.472 1.107 . . . . 0.0 109.264 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.771 ' HD2' ' HB3' ' A' ' 27' ' ' ALA . 1.0 OUTLIER -132.02 -93.89 0.37 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 110.328 179.953 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 54.2 m 59.19 40.09 22.04 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.45 1.094 . . . . 0.0 108.266 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 165.78 55.45 0.03 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.504 1.128 . . . . 0.0 111.027 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.771 ' HB3' ' HD2' ' A' ' 24' ' ' ARG . . . -156.42 165.21 36.98 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 0.753 . . . . 0.0 109.307 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 98.2 mt-30 -126.19 126.98 44.98 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.535 1.147 . . . . 0.0 110.375 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -128.42 177.58 6.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.15 . . . . 0.0 109.313 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -81.53 -56.38 2.98 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.513 1.133 . . . . 0.0 111.026 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.3 mp -58.6 -47.05 85.64 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 0.754 . . . . 0.0 109.312 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -145.88 -174.39 4.41 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.53 1.144 . . . . 0.0 108.286 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.46 ' N ' ' O ' ' A' ' 43' ' ' THR . 10.5 t -149.13 137.56 20.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.987 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.435 ' N ' ' O ' ' A' ' 27' ' ' ALA . 12.8 m -102.42 22.56 13.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 108.284 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.524 ' CG ' ' HD2' ' A' ' 36' ' ' PRO . 0.1 OUTLIER -99.18 153.31 37.85 Favored Pre-proline 0 C--N 1.324 -0.524 0 O-C-N 124.492 1.12 . . . . 0.0 109.629 179.948 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.524 ' HD2' ' CG ' ' A' ' 35' ' ' HIS . 18.2 Cg_endo -75.06 0.02 9.44 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.546 1.814 . . . . 0.0 110.964 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -96.18 -10.13 28.87 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.539 1.15 . . . . 0.0 110.363 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 14.6 p -52.85 -22.66 5.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 108.293 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -69.73 -44.57 70.01 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 0.0 109.998 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -76.28 -31.87 53.58 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.49 1.119 . . . . 0.0 110.97 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 75.3 mt -81.15 -58.35 3.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 0.745 . . . . 0.0 109.285 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 110.69 27.04 4.52 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.433 1.083 . . . . 0.0 111.034 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.46 ' O ' ' N ' ' A' ' 33' ' ' SER . 46.2 p -118.97 42.66 2.76 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.496 0.763 . . . . 0.0 110.381 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 59.1 m -76.12 148.16 38.04 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.526 1.142 . . . . 0.0 108.326 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . 0.911 ' SG ' ' SG ' ' A' ' 21' ' ' CYS . 2.3 m -84.84 155.07 21.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 108.32 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -68.54 -27.74 66.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 110.333 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 6.7 p30 -113.24 17.6 18.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 109.3 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.463 ' O ' ' N ' ' A' ' 52' ' ' CYS . 16.3 t80 -64.83 -48.66 73.55 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.469 1.106 . . . . 0.0 110.977 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.464 ' O ' ' CB ' ' A' ' 53' ' ' LEU . 8.4 mt -74.03 -34.63 64.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 109.309 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -58.87 -37.79 77.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.125 . . . . 0.0 109.268 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.541 ' CD1' ' HA ' ' A' ' 22' ' ' SER . 4.9 m-85 -98.79 -20.51 16.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 111.032 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . 0.518 ' HB3' HD13 ' A' ' 55' ' ' ILE . 1.7 m -128.41 65.16 1.4 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 108.263 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.464 ' CB ' ' O ' ' A' ' 49' ' ' LEU . 0.3 OUTLIER -102.88 28.91 5.77 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 109.356 179.934 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -176.68 40.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 110.299 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.518 HD13 ' HB3' ' A' ' 52' ' ' CYS . 11.4 pt . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 0.0 109.302 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 4.5 p . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 109.996 -0.372 . . . . 0.0 109.996 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.961 ' SG ' ' SG ' ' A' ' 45' ' ' CYS . 73.5 m -126.91 48.52 2.18 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.467 1.105 . . . . 0.0 108.316 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.512 ' HB3' HD13 ' A' ' 23' ' ' LEU . 30.4 t -84.33 -46.71 11.48 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.55 1.156 . . . . 0.0 109.971 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.63 ' N ' HD13 ' A' ' 23' ' ' LEU . 0.0 OUTLIER -111.41 32.37 5.42 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.548 1.155 . . . . 0.0 109.272 -179.977 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.755 ' HD2' ' HB3' ' A' ' 27' ' ' ALA . 1.2 mtt180 -124.06 -93.25 0.51 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.491 1.119 . . . . 0.0 110.277 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 74.2 m 59.41 40.32 21.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 108.279 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 166.53 55.37 0.03 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.534 1.146 . . . . 0.0 110.97 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.755 ' HB3' ' HD2' ' A' ' 24' ' ' ARG . . . -156.6 163.49 39.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 0.767 . . . . 0.0 109.255 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 69.5 mt-30 -126.2 126.98 44.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 110.295 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -128.35 177.73 6.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.1 . . . . 0.0 109.239 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -81.13 -59.82 2.36 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.488 1.117 . . . . 0.0 111.004 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.3 mp -54.31 -46.54 72.85 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 0.773 . . . . 0.0 109.322 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.406 ' SG ' ' N ' ' A' ' 33' ' ' SER . 0.7 OUTLIER -146.46 -167.04 2.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 108.274 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.45 ' N ' ' O ' ' A' ' 43' ' ' THR . 18.8 t -155.89 140.61 17.04 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.518 1.136 . . . . 0.0 109.956 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.44 ' N ' ' O ' ' A' ' 27' ' ' ALA . 6.2 m -104.02 28.12 7.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 108.308 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.517 ' CG ' ' HD2' ' A' ' 36' ' ' PRO . 0.2 OUTLIER -109.17 152.07 42.35 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.504 1.127 . . . . 0.0 109.622 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.517 ' HD2' ' CG ' ' A' ' 35' ' ' HIS . 18.3 Cg_endo -75.01 -5.21 16.5 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.484 1.781 . . . . 0.0 111.014 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 41.9 p -86.73 -12.65 47.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.142 . . . . 0.0 110.408 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.447 ' O ' ' N ' ' A' ' 42' ' ' GLY . 22.0 p -60.35 -17.13 41.27 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.517 1.136 . . . . 0.0 108.26 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 6.0 t -70.66 -39.94 73.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.137 . . . . 0.0 110.032 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -76.16 -33.96 47.96 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.557 1.16 . . . . 0.0 110.98 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.2 mt -85.46 -65.7 0.98 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 0.763 . . . . 0.0 109.312 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' ' 38' ' ' CYS . . . 119.89 37.98 0.73 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.541 1.151 . . . . 0.0 111.037 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.45 ' O ' ' N ' ' A' ' 33' ' ' SER . 72.3 p -119.44 30.88 6.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 0.767 . . . . 0.0 110.385 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 56.4 m -70.16 147.66 49.6 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 108.344 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . 0.961 ' SG ' ' SG ' ' A' ' 21' ' ' CYS . 2.5 m -81.57 155.86 25.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.138 . . . . 0.0 108.278 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -68.93 -27.94 66.21 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.129 . . . . 0.0 110.294 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 6.8 p30 -113.07 16.89 19.16 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 109.276 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.442 ' O ' ' N ' ' A' ' 52' ' ' CYS . 13.1 t80 -62.95 -48.23 79.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 0.0 110.985 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.454 ' O ' ' CG ' ' A' ' 53' ' ' LEU . 5.3 mt -73.53 -30.91 63.38 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.485 1.116 . . . . 0.0 109.278 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -58.64 -38.3 77.8 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.443 1.09 . . . . 0.0 109.294 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.506 ' CG ' ' HA ' ' A' ' 22' ' ' SER . 34.2 m-85 -101.02 -22.41 14.76 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.518 1.136 . . . . 0.0 111.03 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . 0.442 ' N ' ' O ' ' A' ' 48' ' ' PHE . 2.0 m -123.23 65.54 0.99 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.46 1.1 . . . . 0.0 108.318 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.454 ' CG ' ' O ' ' A' ' 49' ' ' LEU . 0.3 OUTLIER -104.29 27.25 7.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 109.34 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -177.08 42.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.555 1.159 . . . . 0.0 110.293 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.419 HD13 ' HB3' ' A' ' 52' ' ' CYS . 7.4 pt . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.492 1.12 . . . . 0.0 109.316 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.968 -0.382 . . . . 0.0 109.968 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 1.041 ' SG ' ' SG ' ' A' ' 45' ' ' CYS . 74.7 m -125.27 48.39 2.03 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.132 . . . . 0.0 108.277 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 10.6 m -82.65 -50.13 9.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.969 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -109.87 41.92 1.61 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.146 . . . . 0.0 109.292 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.81 ' HD2' ' HB3' ' A' ' 27' ' ' ALA . 1.0 OUTLIER -131.81 -93.2 0.38 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.143 . . . . 0.0 110.306 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 93.0 m 59.42 40.24 21.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.15 . . . . 0.0 108.304 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 160.27 60.16 0.01 OUTLIER Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.501 1.126 . . . . 0.0 111.026 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.81 ' HB3' ' HD2' ' A' ' 24' ' ' ARG . . . -156.46 162.43 39.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 0.783 . . . . 0.0 109.345 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 34.4 mt-30 -126.2 127.3 45.47 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.112 . . . . 0.0 110.268 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.49 ' CB ' ' O ' ' A' ' 32' ' ' CYS . 0.2 OUTLIER -128.15 177.25 7.04 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.524 1.14 . . . . 0.0 109.264 -179.964 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -82.56 -46.81 6.25 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.476 1.11 . . . . 0.0 110.963 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 72.4 mt -68.07 -42.59 80.23 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 0.764 . . . . 0.0 109.32 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.49 ' O ' ' CB ' ' A' ' 29' ' ' ASP . 5.7 p -156.54 -179.62 8.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.12 . . . . 0.0 108.266 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 38.7 t -141.6 145.7 35.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.553 1.158 . . . . 0.0 110.03 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.411 ' N ' ' O ' ' A' ' 27' ' ' ALA . 6.9 m -110.04 11.61 23.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.544 1.153 . . . . 0.0 108.272 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.519 ' CG ' ' HD2' ' A' ' 36' ' ' PRO . 0.3 OUTLIER -82.85 149.98 61.02 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 109.597 -179.98 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.519 ' HD2' ' CG ' ' A' ' 35' ' ' HIS . 18.3 Cg_endo -74.96 -0.8 10.4 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.431 1.753 . . . . 0.0 111.012 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 16.8 p -101.06 -6.43 24.41 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.56 1.162 . . . . 0.0 110.392 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.43 ' O ' ' N ' ' A' ' 42' ' ' GLY . 25.7 p -62.47 -21.65 65.63 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.453 1.096 . . . . 0.0 108.282 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -63.6 -40.95 98.23 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.523 1.139 . . . . 0.0 110.018 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -75.53 -26.36 65.68 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.478 1.111 . . . . 0.0 111.027 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.9 mt -86.12 -69.12 0.69 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 0.756 . . . . 0.0 109.283 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.43 ' N ' ' O ' ' A' ' 38' ' ' CYS . . . 119.4 40.39 0.63 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.53 1.144 . . . . 0.0 110.99 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.412 ' O ' ' HA ' ' A' ' 32' ' ' CYS . 12.5 p -126.65 14.47 7.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 0.741 . . . . 0.0 110.352 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 58.5 m -55.59 148.16 16.51 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.133 . . . . 0.0 108.288 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . 1.041 ' SG ' ' SG ' ' A' ' 21' ' ' CYS . 4.4 m -77.46 147.89 35.67 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.476 1.11 . . . . 0.0 108.31 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -62.15 -25.86 67.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 110.243 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -111.0 19.27 18.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.561 1.163 . . . . 0.0 109.288 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.586 ' CZ ' HD11 ' A' ' 55' ' ' ILE . 9.2 t80 -62.41 -48.17 80.9 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 0.0 110.997 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.724 ' N ' HD13 ' A' ' 49' ' ' LEU . 0.0 OUTLIER -73.5 -30.59 63.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.131 . . . . 0.0 109.31 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -58.47 -28.37 65.27 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.131 . . . . 0.0 109.293 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.416 ' CB ' ' O ' ' A' ' 21' ' ' CYS . 46.3 m-85 -113.96 -18.66 11.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.132 . . . . 0.0 111.002 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . 0.801 ' HB3' HD13 ' A' ' 55' ' ' ILE . 2.2 m -132.34 71.0 1.46 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 108.359 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -101.01 27.3 6.15 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.531 1.144 . . . . 0.0 109.275 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -172.52 55.39 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.5 1.125 . . . . 0.0 110.311 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.801 HD13 ' HB3' ' A' ' 52' ' ' CYS . 5.0 pt . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 0.0 109.283 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 21.4 m . . . . . 0 N--CA 1.452 -0.34 0 N-CA-C 110.02 -0.363 . . . . 0.0 110.02 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 1.037 ' SG ' ' SG ' ' A' ' 45' ' ' CYS . 67.5 m -122.4 61.7 0.98 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 108.316 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.648 ' HB3' HD13 ' A' ' 23' ' ' LEU . 6.0 t -84.72 -57.92 2.93 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 109.997 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.648 HD13 ' HB3' ' A' ' 22' ' ' SER . 0.0 OUTLIER -116.7 26.05 10.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 109.304 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.723 ' HD2' ' HB3' ' A' ' 27' ' ' ALA . 0.7 OUTLIER -102.78 -92.8 0.33 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 0.0 110.293 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 60.9 m 59.61 40.19 20.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.452 1.095 . . . . 0.0 108.259 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 166.43 56.14 0.03 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.464 1.102 . . . . 0.0 111.022 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.723 ' HB3' ' HD2' ' A' ' 24' ' ' ARG . . . -156.28 164.69 38.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 0.765 . . . . 0.0 109.317 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 60.3 mt-30 -126.27 126.92 44.79 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 110.305 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -128.23 175.12 8.69 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 109.286 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -79.82 -54.75 3.8 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.497 1.123 . . . . 0.0 110.976 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.604 HD22 ' H ' ' A' ' 31' ' ' LEU . 2.5 mm? -60.42 -46.64 89.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 0.757 . . . . 0.0 109.278 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.418 ' HA ' ' O ' ' A' ' 43' ' ' THR . 0.8 OUTLIER -145.5 -171.34 3.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 108.339 179.971 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.438 ' N ' ' O ' ' A' ' 43' ' ' THR . 19.4 t -153.28 137.69 16.7 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.454 1.096 . . . . 0.0 109.951 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.437 ' N ' ' O ' ' A' ' 27' ' ' ALA . 12.7 m -102.98 28.36 6.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.567 1.167 . . . . 0.0 108.299 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.518 ' CG ' ' HD2' ' A' ' 36' ' ' PRO . 0.1 OUTLIER -107.42 152.4 41.28 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 109.599 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.518 ' HD2' ' CG ' ' A' ' 35' ' ' HIS . 18.3 Cg_endo -74.98 -0.16 9.63 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.549 1.815 . . . . 0.0 110.984 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 50.7 p -94.63 -11.33 29.53 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.465 1.103 . . . . 0.0 110.389 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.441 ' O ' ' N ' ' A' ' 42' ' ' GLY . 21.0 p -55.35 -20.71 12.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.421 1.076 . . . . 0.0 108.312 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -67.62 -40.14 84.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.449 1.093 . . . . 0.0 109.983 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -75.73 -34.1 49.72 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.46 1.1 . . . . 0.0 111.029 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.1 mt -83.2 -67.72 0.77 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 0.756 . . . . 0.0 109.332 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 38' ' ' CYS . . . 118.07 42.33 0.61 Allowed Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.467 1.104 . . . . 0.0 111.043 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.438 ' O ' ' N ' ' A' ' 33' ' ' SER . 46.9 p -129.22 29.35 5.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.446 0.733 . . . . 0.0 110.38 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 33.7 m -63.37 144.71 56.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 108.288 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . 1.037 ' SG ' ' SG ' ' A' ' 21' ' ' CYS . 2.9 m -79.2 145.87 33.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 108.313 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -61.97 -26.24 68.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.565 1.166 . . . . 0.0 110.291 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -111.75 19.74 17.73 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.528 1.143 . . . . 0.0 109.335 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.485 ' CD2' ' CD1' ' A' ' 49' ' ' LEU . 11.4 t80 -66.92 -48.2 69.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 110.982 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.728 ' N ' HD13 ' A' ' 49' ' ' LEU . 0.0 OUTLIER -73.34 -30.3 63.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.318 179.97 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -57.94 -38.78 76.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 0.0 109.31 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.499 ' CB ' ' O ' ' A' ' 21' ' ' CYS . 44.6 m-85 -104.31 -16.56 15.12 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.548 1.155 . . . . 0.0 111.019 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . 0.55 ' HB3' HD13 ' A' ' 55' ' ' ILE . 0.4 OUTLIER -132.76 66.44 1.56 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 108.278 179.976 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.44 ' CB ' ' O ' ' A' ' 49' ' ' LEU . 0.4 OUTLIER -97.48 8.9 43.75 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.471 1.107 . . . . 0.0 109.29 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -159.55 46.1 0.26 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 0.0 110.321 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.55 HD13 ' HB3' ' A' ' 52' ' ' CYS . 8.6 pt . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.471 1.107 . . . . 0.0 109.306 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 12.1 p . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 110.017 -0.364 . . . . 0.0 110.017 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.931 ' SG ' ' SG ' ' A' ' 45' ' ' CYS . 86.3 m -126.17 51.16 1.81 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 108.263 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.497 ' HA ' ' CG ' ' A' ' 51' ' ' TYR . 77.1 p -84.83 -47.48 10.32 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 109.956 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -112.41 26.58 10.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 109.272 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.764 ' HD2' ' HB3' ' A' ' 27' ' ' ALA . 1.1 mtt180 -117.43 -94.29 0.5 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.474 1.109 . . . . 0.0 110.299 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 60.3 m 59.43 40.12 21.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 108.309 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 165.63 55.19 0.02 OUTLIER Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.497 1.123 . . . . 0.0 110.992 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.764 ' HB3' ' HD2' ' A' ' 24' ' ' ARG . . . -154.42 166.95 31.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.451 0.736 . . . . 0.0 109.303 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 29.8 mt-30 -126.24 127.18 45.23 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.529 1.143 . . . . 0.0 110.299 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -128.18 173.27 10.25 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 0.0 109.306 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -79.91 -55.13 3.65 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.533 1.145 . . . . 0.0 111.003 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 29.1 mt -60.77 -41.64 95.9 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 0.778 . . . . 0.0 109.269 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -150.44 -170.62 3.7 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.144 . . . . 0.0 108.273 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.449 ' N ' ' O ' ' A' ' 43' ' ' THR . 18.6 t -153.3 139.21 18.1 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.513 1.133 . . . . 0.0 110.008 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 8.7 m -103.4 26.99 7.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 108.301 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.52 ' CG ' ' HD2' ' A' ' 36' ' ' PRO . 0.1 OUTLIER -105.74 151.82 40.0 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.582 -179.974 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.52 ' HD2' ' CG ' ' A' ' 35' ' ' HIS . 18.2 Cg_endo -74.95 -0.06 9.48 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.468 1.773 . . . . 0.0 110.984 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 66.2 p -96.99 -2.27 43.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.106 . . . . 0.0 110.393 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.431 ' O ' ' N ' ' A' ' 42' ' ' GLY . 26.6 p -67.35 -19.06 65.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 108.304 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.6 m -67.5 -41.97 83.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 110.041 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -75.71 -32.26 54.42 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.444 1.09 . . . . 0.0 110.988 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 16.2 mt -82.38 -66.02 0.94 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 0.768 . . . . 0.0 109.333 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.431 ' N ' ' O ' ' A' ' 38' ' ' CYS . . . 116.8 38.45 0.89 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.472 1.108 . . . . 0.0 110.981 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.449 ' O ' ' N ' ' A' ' 33' ' ' SER . 58.9 p -125.56 27.89 6.38 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 0.767 . . . . 0.0 110.43 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 57.2 m -64.47 147.25 53.13 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.461 1.1 . . . . 0.0 108.263 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . 0.931 ' SG ' ' SG ' ' A' ' 21' ' ' CYS . 3.9 m -80.38 150.82 29.71 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.48 1.112 . . . . 0.0 108.291 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -65.08 -27.8 69.02 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.477 1.11 . . . . 0.0 110.272 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -110.96 20.82 17.12 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.486 1.116 . . . . 0.0 109.297 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.518 ' CD2' HD13 ' A' ' 49' ' ' LEU . 29.0 t80 -66.07 -48.57 70.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 0.0 110.954 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.691 ' H ' HD22 ' A' ' 49' ' ' LEU . 0.2 OUTLIER -73.75 -30.05 62.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.434 1.084 . . . . 0.0 109.287 -179.966 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -57.77 -40.77 80.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.135 . . . . 0.0 109.313 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.499 ' CB ' ' O ' ' A' ' 21' ' ' CYS . 48.2 m-85 -101.67 -20.96 14.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 110.997 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . 0.544 ' HB3' HD13 ' A' ' 55' ' ' ILE . 0.1 OUTLIER -128.14 66.55 1.36 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.111 . . . . 0.0 108.25 -179.951 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.453 ' CB ' ' O ' ' A' ' 49' ' ' LEU . 0.3 OUTLIER -95.81 7.62 45.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.27 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -158.17 48.4 0.37 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 110.297 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.544 HD13 ' HB3' ' A' ' 52' ' ' CYS . 9.1 pt . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.554 1.158 . . . . 0.0 109.322 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 110.021 -0.362 . . . . 0.0 110.021 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.589 ' SG ' ' SG ' ' A' ' 45' ' ' CYS . 37.2 m -128.32 44.5 2.94 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 108.296 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.463 ' HA ' ' CD1' ' A' ' 51' ' ' TYR . 29.0 t -75.3 -1.87 25.63 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.127 . . . . 0.0 110.017 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.497 ' C ' ' CD1' ' A' ' 23' ' ' LEU . 0.1 OUTLIER -168.99 32.52 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 109.34 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.501 ' CB ' ' SG ' ' A' ' 34' ' ' CYS . 1.8 mmm180 -105.38 -92.53 0.37 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.521 1.138 . . . . 0.0 110.294 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 72.6 m 59.63 40.34 20.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 108.289 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 158.35 61.21 0.01 OUTLIER Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.523 1.14 . . . . 0.0 111.043 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.44 ' CB ' ' NE ' ' A' ' 24' ' ' ARG . . . -158.86 155.62 28.13 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.492 0.76 . . . . 0.0 109.245 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 5.0 mm-40 -126.09 126.62 44.49 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.521 1.138 . . . . 0.0 110.307 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -128.63 177.8 6.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.44 1.087 . . . . 0.0 109.268 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -84.31 -50.65 4.21 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.491 1.119 . . . . 0.0 111.017 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -61.78 -43.53 98.68 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.526 0.78 . . . . 0.0 109.296 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.439 ' SG ' ' N ' ' A' ' 33' ' ' SER . 0.9 OUTLIER -150.05 -162.43 1.55 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 108.284 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.439 ' N ' ' SG ' ' A' ' 32' ' ' CYS . 23.3 t -165.25 139.35 4.82 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.508 1.13 . . . . 0.0 110.018 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.544 ' HA ' ' CD1' ' A' ' 48' ' ' PHE . 4.7 m -101.45 12.1 37.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 108.33 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.524 ' CG ' ' HD2' ' A' ' 36' ' ' PRO . 0.1 OUTLIER -83.21 152.32 64.64 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.133 . . . . 0.0 109.617 -179.981 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.524 ' HD2' ' CG ' ' A' ' 35' ' ' HIS . 18.3 Cg_endo -74.98 -19.87 17.47 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.505 1.792 . . . . 0.0 110.993 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.544 ' O ' HD12 ' A' ' 41' ' ' LEU . 10.4 p -83.1 -2.43 55.39 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 110.381 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 15.7 p -64.45 -15.04 59.99 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.466 1.104 . . . . 0.0 108.305 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 98.4 p -70.47 -41.75 72.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.143 . . . . 0.0 109.998 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -76.05 -30.48 57.3 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.505 1.128 . . . . 0.0 110.989 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.544 HD12 ' O ' ' A' ' 37' ' ' THR . 1.4 mt -83.53 -55.83 4.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 0.774 . . . . 0.0 109.272 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 103.81 36.8 3.13 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.545 1.153 . . . . 0.0 110.963 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.432 ' O ' ' N ' ' A' ' 33' ' ' SER . 46.8 p -116.97 18.58 14.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.453 0.737 . . . . 0.0 110.425 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 35.5 m -62.1 146.14 51.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 108.263 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . 0.589 ' SG ' ' SG ' ' A' ' 21' ' ' CYS . 0.2 OUTLIER -83.43 168.07 16.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 108.294 179.954 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -78.4 -23.6 46.65 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.53 1.144 . . . . 0.0 110.304 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 6.0 p30 -113.01 9.82 18.74 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.532 1.145 . . . . 0.0 109.295 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.544 ' CD1' ' HA ' ' A' ' 34' ' ' CYS . 6.3 t80 -65.88 -48.34 71.84 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 0.0 111.005 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.493 ' O ' ' CG ' ' A' ' 53' ' ' LEU . 11.0 mt -74.0 -37.33 64.44 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.493 1.121 . . . . 0.0 109.3 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.497 ' HA ' HD12 ' A' ' 53' ' ' LEU . 2.1 t0 -58.85 -33.1 70.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.104 . . . . 0.0 109.298 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.463 ' CD1' ' HA ' ' A' ' 22' ' ' SER . 6.1 m-85 -98.37 -30.01 12.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 111.004 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . 0.49 ' HB3' HD13 ' A' ' 55' ' ' ILE . 3.3 m -125.56 69.94 1.18 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.447 1.092 . . . . 0.0 108.308 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.497 HD12 ' HA ' ' A' ' 50' ' ' ASP . 0.2 OUTLIER -102.82 3.13 36.36 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.449 1.093 . . . . 0.0 109.284 -179.974 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -146.37 42.99 1.2 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.125 . . . . 0.0 110.326 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.49 HD13 ' HB3' ' A' ' 52' ' ' CYS . 8.5 pt . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 109.316 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 14.0 m . . . . . 0 N--CA 1.453 -0.325 0 N-CA-C 109.978 -0.379 . . . . 0.0 109.978 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.605 ' SG ' ' SG ' ' A' ' 45' ' ' CYS . 51.5 m -127.19 48.85 2.15 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 0.0 108.254 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 7.1 t -74.67 -52.29 12.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 109.993 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.408 ' C ' ' CD1' ' A' ' 23' ' ' LEU . 0.2 OUTLIER -120.49 37.05 4.38 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.501 1.126 . . . . 0.0 109.316 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.488 ' HD2' ' HB3' ' A' ' 27' ' ' ALA . 1.1 mtt180 -121.04 -93.53 0.52 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 110.282 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 50.5 m 59.31 40.06 21.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 108.297 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 172.87 51.9 0.05 OUTLIER Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.519 1.137 . . . . 0.0 111.006 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.488 ' HB3' ' HD2' ' A' ' 24' ' ' ARG . . . -152.87 164.42 37.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 0.769 . . . . 0.0 109.311 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 45.5 mt-30 -126.23 126.86 44.73 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.118 . . . . 0.0 110.297 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -128.24 177.29 7.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 109.275 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -83.37 -56.24 2.72 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.506 1.129 . . . . 0.0 111.053 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 15.4 mt -57.53 -43.68 84.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 0.777 . . . . 0.0 109.329 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.437 ' SG ' ' N ' ' A' ' 33' ' ' SER . 0.6 OUTLIER -148.14 -165.58 2.3 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 108.286 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.456 ' N ' ' O ' ' A' ' 43' ' ' THR . 5.9 t -157.37 137.26 12.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.542 1.151 . . . . 0.0 109.991 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 33.0 m -100.85 21.93 12.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.554 1.159 . . . . 0.0 108.334 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.526 ' CG ' ' HD2' ' A' ' 36' ' ' PRO . 0.1 OUTLIER -102.1 153.82 37.78 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 0.0 109.602 -179.956 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.526 ' HD2' ' CG ' ' A' ' 35' ' ' HIS . 18.2 Cg_endo -75.03 0.36 9.02 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.474 1.776 . . . . 0.0 110.978 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -93.97 -6.15 46.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 110.421 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.52 ' SG ' ' CE2' ' A' ' 48' ' ' PHE . 9.8 p -54.69 -21.02 9.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 108.29 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -70.1 -44.5 68.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.452 1.095 . . . . 0.0 110.0 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -76.24 -33.2 49.88 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.509 1.131 . . . . 0.0 110.999 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 87.9 mt -80.98 -58.91 2.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 0.77 . . . . 0.0 109.295 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 38' ' ' CYS . . . 107.45 29.56 4.43 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.484 1.115 . . . . 0.0 111.004 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.456 ' O ' ' N ' ' A' ' 33' ' ' SER . 67.7 p -119.02 41.48 3.05 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.446 0.733 . . . . 0.0 110.443 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 25.2 m -73.39 144.29 46.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 108.291 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . 0.605 ' SG ' ' SG ' ' A' ' 21' ' ' CYS . 0.8 OUTLIER -84.74 164.08 18.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 108.299 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -73.51 -28.09 61.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 110.307 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -113.04 16.16 19.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.292 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.52 ' CE2' ' SG ' ' A' ' 38' ' ' CYS . 20.8 t80 -68.97 -48.48 63.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 111.003 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.498 ' O ' ' CG ' ' A' ' 53' ' ' LEU . 9.2 mt -74.04 -34.32 64.04 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.509 1.131 . . . . 0.0 109.285 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.455 ' HA ' HD12 ' A' ' 53' ' ' LEU . 2.5 m-20 -58.69 -39.28 80.29 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.484 1.115 . . . . 0.0 109.242 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 -97.12 -23.65 16.12 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.475 1.11 . . . . 0.0 111.031 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . 0.651 ' HB3' HD13 ' A' ' 55' ' ' ILE . 1.3 m -125.25 65.64 1.14 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.557 1.161 . . . . 0.0 108.294 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.498 ' CG ' ' O ' ' A' ' 49' ' ' LEU . 0.2 OUTLIER -102.31 17.51 23.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.252 -179.972 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -167.59 42.67 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.522 1.139 . . . . 0.0 110.322 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.651 HD13 ' HB3' ' A' ' 52' ' ' CYS . 6.0 pt . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.12 . . . . 0.0 109.288 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.8 p . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 110.003 -0.369 . . . . 0.0 110.003 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 66.3 m -124.12 57.76 1.21 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 108.297 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.543 ' HA ' ' CD2' ' A' ' 51' ' ' TYR . 23.2 t -77.53 -50.2 13.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 109.997 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.468 HD23 ' C ' ' A' ' 23' ' ' LEU . 0.4 OUTLIER -122.85 27.92 7.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 109.292 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.78 ' HD2' ' HB3' ' A' ' 27' ' ' ALA . 1.2 mtt180 -109.55 -95.58 0.41 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 110.315 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 34.2 m 59.14 38.8 23.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 108.33 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 34' ' ' CYS . . . 165.08 55.44 0.02 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.504 1.128 . . . . 0.0 111.01 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.78 ' HB3' ' HD2' ' A' ' 24' ' ' ARG . . . -151.51 167.71 27.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 0.757 . . . . 0.0 109.261 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 3.6 mt-30 -126.14 126.85 44.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.135 . . . . 0.0 110.29 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -128.63 177.43 7.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.44 1.087 . . . . 0.0 109.298 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -83.98 -51.61 3.93 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.481 1.113 . . . . 0.0 111.015 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.7 mp -62.09 -44.91 95.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 0.771 . . . . 0.0 109.306 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.448 ' SG ' ' N ' ' A' ' 33' ' ' SER . 1.7 p -147.24 -159.38 1.02 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 108.322 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.448 ' N ' ' SG ' ' A' ' 32' ' ' CYS . 19.7 t -163.97 137.65 5.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.448 1.092 . . . . 0.0 110.013 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.44 ' O ' ' N ' ' A' ' 26' ' ' GLY . 36.8 m -101.2 28.62 5.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.54 1.15 . . . . 0.0 108.29 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.521 ' CG ' ' HD2' ' A' ' 36' ' ' PRO . 0.2 OUTLIER -108.06 151.15 41.2 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.13 . . . . 0.0 109.605 179.98 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.521 ' HD2' ' CG ' ' A' ' 35' ' ' HIS . 18.1 Cg_endo -75.07 -4.64 15.68 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.49 1.784 . . . . 0.0 110.944 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.722 ' O ' HD12 ' A' ' 41' ' ' LEU . 38.0 p -91.89 -2.42 56.84 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 0.0 110.437 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.423 ' O ' ' N ' ' A' ' 42' ' ' GLY . 28.5 p -69.78 -12.09 61.36 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 108.308 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 12.4 t -71.25 -44.2 65.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 110.014 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -76.07 -34.06 48.12 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.513 1.133 . . . . 0.0 110.969 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.722 HD12 ' O ' ' A' ' 37' ' ' THR . 1.3 mt -81.08 -56.44 4.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 0.762 . . . . 0.0 109.279 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.423 ' N ' ' O ' ' A' ' 38' ' ' CYS . . . 105.21 38.47 2.46 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.526 1.141 . . . . 0.0 111.004 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.439 ' O ' ' N ' ' A' ' 33' ' ' SER . 41.8 p -117.03 20.49 13.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 0.762 . . . . 0.0 110.366 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 39.5 m -63.26 146.62 53.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.106 . . . . 0.0 108.314 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -82.98 166.18 19.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 108.267 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -75.57 -28.13 58.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.139 . . . . 0.0 110.312 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -113.07 16.84 19.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 109.297 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.465 ' O ' ' N ' ' A' ' 52' ' ' CYS . 15.5 t80 -68.18 -48.12 66.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 111.026 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.479 ' O ' ' CB ' ' A' ' 53' ' ' LEU . 6.4 mt -73.63 -36.52 65.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 0.0 109.239 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.444 ' HA ' HD12 ' A' ' 53' ' ' LEU . 1.1 m-20 -58.8 -39.33 80.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 109.32 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.543 ' CD2' ' HA ' ' A' ' 22' ' ' SER . 8.0 m-85 -93.82 -25.34 17.41 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.457 1.098 . . . . 0.0 111.017 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . 0.468 ' HB3' HG21 ' A' ' 55' ' ' ILE . 1.8 m -125.96 65.32 1.2 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.45 1.094 . . . . 0.0 108.291 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.479 ' CB ' ' O ' ' A' ' 49' ' ' LEU . 0.3 OUTLIER -99.73 30.08 3.82 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.14 . . . . 0.0 109.295 179.975 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 -174.48 39.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.453 1.096 . . . . 0.0 110.311 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.468 HG21 ' HB3' ' A' ' 52' ' ' CYS . 5.4 pt . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.446 1.092 . . . . 0.0 109.258 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.998 -0.371 . . . . 0.0 109.998 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.674 ' SG ' ' SG ' ' A' ' 45' ' ' CYS . 65.8 m -118.53 54.05 0.96 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.137 . . . . 0.0 108.304 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.558 ' HA ' ' CD2' ' A' ' 51' ' ' TYR . 58.3 p -55.74 -68.49 0.2 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 109.961 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.8 HD22 ' C ' ' A' ' 23' ' ' LEU . 0.0 OUTLIER -113.6 -13.32 12.75 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.464 1.103 . . . . 0.0 109.309 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.717 ' HD2' ' HB3' ' A' ' 27' ' ' ALA . 0.4 OUTLIER -50.03 -94.2 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.504 1.127 . . . . 0.0 110.333 -179.969 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 57.8 m 59.16 40.05 22.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.141 . . . . 0.0 108.346 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . 0.437 ' N ' ' O ' ' A' ' 34' ' ' CYS . . . 166.79 54.49 0.03 OUTLIER Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.524 1.14 . . . . 0.0 110.994 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.717 ' HB3' ' HD2' ' A' ' 24' ' ' ARG . . . -152.78 167.32 29.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 0.779 . . . . 0.0 109.334 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 53.8 mt-30 -126.37 126.9 44.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.115 . . . . 0.0 110.276 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -128.34 178.03 6.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.139 . . . . 0.0 109.341 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -84.63 -51.53 3.83 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.517 1.136 . . . . 0.0 111.041 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.665 HD22 ' H ' ' A' ' 31' ' ' LEU . 1.5 mm? -63.21 -46.18 88.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.455 0.738 . . . . 0.0 109.309 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.423 ' SG ' ' N ' ' A' ' 33' ' ' SER . 0.6 OUTLIER -144.05 -167.0 2.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 108.264 179.986 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.432 ' N ' ' O ' ' A' ' 43' ' ' THR . 4.9 t -156.57 136.35 12.52 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 110.007 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.437 ' O ' ' N ' ' A' ' 26' ' ' GLY . 19.9 m -104.23 21.99 15.58 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.447 1.092 . . . . 0.0 108.266 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.518 ' CG ' ' HD2' ' A' ' 36' ' ' PRO . 0.1 OUTLIER -95.64 153.16 39.49 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.115 . . . . 0.0 109.572 -179.993 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.518 ' HD2' ' CG ' ' A' ' 35' ' ' HIS . 18.3 Cg_endo -75.0 -16.11 20.37 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.472 1.775 . . . . 0.0 110.989 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.596 ' O ' HD12 ' A' ' 41' ' ' LEU . 51.9 p -94.17 7.46 45.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 110.421 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 18.7 p -70.31 -18.28 63.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 108.281 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 58.6 p -71.25 -37.82 71.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.546 1.154 . . . . 0.0 110.034 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -75.73 -23.22 73.15 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.486 1.116 . . . . 0.0 111.03 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.596 HD12 ' O ' ' A' ' 37' ' ' THR . 1.6 mt -92.81 -51.66 4.98 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.532 0.783 . . . . 0.0 109.314 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 102.75 35.46 3.76 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.486 1.116 . . . . 0.0 110.983 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.432 ' O ' ' N ' ' A' ' 33' ' ' SER . 38.7 p -117.69 15.08 14.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 0.777 . . . . 0.0 110.341 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 59.9 m -59.16 148.57 31.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 108.284 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . 0.674 ' SG ' ' SG ' ' A' ' 21' ' ' CYS . 0.0 OUTLIER -86.46 161.85 18.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 108.26 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -73.29 -23.18 60.26 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.418 1.074 . . . . 0.0 110.276 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -112.15 15.37 20.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.125 . . . . 0.0 109.278 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.47 ' O ' ' N ' ' A' ' 52' ' ' CYS . 19.7 t80 -69.0 -48.16 63.77 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 0.0 111.05 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.478 ' O ' ' CB ' ' A' ' 53' ' ' LEU . 5.8 mt -73.82 -37.16 64.95 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.536 1.148 . . . . 0.0 109.289 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -58.81 -40.0 82.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.12 . . . . 0.0 109.321 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.558 ' CD2' ' HA ' ' A' ' 22' ' ' SER . 16.7 m-85 -92.71 -25.77 18.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.143 . . . . 0.0 110.994 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . 0.47 ' N ' ' O ' ' A' ' 48' ' ' PHE . 1.7 m -124.98 64.57 1.13 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 108.323 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.478 ' CB ' ' O ' ' A' ' 49' ' ' LEU . 0.3 OUTLIER -98.97 30.51 3.36 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.56 1.162 . . . . 0.0 109.282 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -168.94 31.61 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.448 1.093 . . . . 0.0 110.302 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.412 HG21 ' HB3' ' A' ' 52' ' ' CYS . 6.4 pt . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 109.331 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.004 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.1 m -167.96 156.86 9.38 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.482 0.754 . . . . 0.0 110.016 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -134.83 -58.61 0.81 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 110.007 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 55.86 -170.3 2.21 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.517 1.136 . . . . 0.0 110.963 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -135.27 -59.59 0.77 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 0.755 . . . . 0.0 109.963 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.3 t 66.83 145.98 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.479 1.112 . . . . 0.0 109.974 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 179.07 132.68 1.79 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.52 1.138 . . . . 0.0 111.032 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 2.1 pt -141.17 85.83 11.77 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.483 0.754 . . . . 0.0 109.3 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 129.46 12.41 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.502 1.791 . . . . 0.0 111.023 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -93.05 161.02 25.3 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.462 1.101 . . . . 0.0 111.006 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 177.46 8.54 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.52 1.8 . . . . 0.0 111.003 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -103.47 126.26 8.74 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.431 1.082 . . . . 0.0 110.975 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 32.0 m-85 -81.37 -56.54 3.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.556 0.797 . . . . 0.0 111.004 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 16.2 m 60.29 93.57 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 0.0 110.36 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -91.76 -63.61 1.23 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 109.306 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 118.37 -161.56 13.51 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.503 1.127 . . . . 0.0 110.976 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -54.12 113.15 1.14 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.447 0.734 . . . . 0.0 109.252 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 3.1 mm-40 -157.17 174.26 15.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 110.319 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 106.17 71.47 0.79 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.524 1.14 . . . . 0.0 111.011 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 6.4 p -125.43 150.96 46.82 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 0.76 . . . . 0.0 110.012 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.809 ' SG ' ' SG ' ' A' ' 45' ' ' CYS . 69.5 m -125.56 53.05 1.58 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.431 1.082 . . . . 0.0 108.311 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 17.0 p -83.63 -47.38 11.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 110.003 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.449 HD23 ' C ' ' A' ' 23' ' ' LEU . 0.4 OUTLIER -120.95 29.75 7.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 109.327 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.718 ' HD2' ' HB3' ' A' ' 27' ' ' ALA . 1.0 OUTLIER -114.71 -93.37 0.49 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.455 1.097 . . . . 0.0 110.277 -179.962 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 35.2 m 59.5 40.11 20.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 108.308 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 166.75 55.38 0.03 OUTLIER Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.489 1.118 . . . . 0.0 110.991 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.718 ' HB3' ' HD2' ' A' ' 24' ' ' ARG . . . -154.4 164.06 39.21 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.515 0.774 . . . . 0.0 109.335 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.42 HE21 ' CG ' ' A' ' 35' ' ' HIS . 83.8 mt-30 -126.28 127.01 44.93 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.481 1.113 . . . . 0.0 110.345 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 17.9 t0 -128.09 177.82 6.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.142 . . . . 0.0 109.308 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -82.93 -51.45 4.22 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.577 1.173 . . . . 0.0 110.962 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 20.5 mt -62.46 -45.79 91.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 0.768 . . . . 0.0 109.306 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.428 ' SG ' ' N ' ' A' ' 33' ' ' SER . 0.8 OUTLIER -146.02 -164.29 1.93 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.545 1.153 . . . . 0.0 108.331 180.0 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.439 ' N ' ' O ' ' A' ' 43' ' ' THR . 15.2 t -159.7 137.55 10.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.437 1.086 . . . . 0.0 110.014 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.484 ' HA ' ' CD1' ' A' ' 48' ' ' PHE . 19.5 m -102.33 22.85 12.66 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 108.254 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.519 ' CG ' ' HD2' ' A' ' 36' ' ' PRO . 0.1 OUTLIER -101.18 153.41 37.8 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 109.634 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.519 ' HD2' ' CG ' ' A' ' 35' ' ' HIS . 18.3 Cg_endo -74.94 -7.13 18.93 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.505 1.792 . . . . 0.0 111.029 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 72.5 p -87.55 -11.43 48.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 110.436 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.444 ' O ' ' N ' ' A' ' 42' ' ' GLY . 15.5 p -57.48 -19.49 24.75 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.113 . . . . 0.0 108.31 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -69.67 -39.9 76.75 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.491 1.12 . . . . 0.0 110.025 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -75.94 -33.24 51.12 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.484 1.115 . . . . 0.0 111.048 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.2 mt -84.89 -65.79 0.97 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 0.756 . . . . 0.0 109.312 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 38' ' ' CYS . . . 116.8 40.8 0.75 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.527 1.142 . . . . 0.0 111.02 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.439 ' O ' ' N ' ' A' ' 33' ' ' SER . 81.8 p -122.7 26.37 8.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 0.766 . . . . 0.0 110.398 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 21.9 m -64.99 144.21 57.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.15 . . . . 0.0 108.269 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . 0.809 ' SG ' ' SG ' ' A' ' 21' ' ' CYS . 0.8 OUTLIER -79.74 161.5 25.71 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.48 1.112 . . . . 0.0 108.273 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.97 -27.29 63.62 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.544 1.152 . . . . 0.0 110.289 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -113.11 14.98 19.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 109.285 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.484 ' CD1' ' HA ' ' A' ' 34' ' ' CYS . 17.0 t80 -68.99 -48.12 63.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.125 . . . . 0.0 111.046 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.498 ' O ' ' CB ' ' A' ' 53' ' ' LEU . 7.8 mt -73.51 -36.06 65.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 109.331 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.522 ' HA ' HD12 ' A' ' 53' ' ' LEU . 0.1 OUTLIER -58.77 -40.16 83.14 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.516 1.135 . . . . 0.0 109.315 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -95.11 -19.57 20.01 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 110.955 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . 0.449 ' N ' ' O ' ' A' ' 48' ' ' PHE . 1.5 m -130.75 63.63 1.58 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 108.309 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.522 HD12 ' HA ' ' A' ' 50' ' ' ASP . 0.2 OUTLIER -99.85 14.85 28.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.555 1.159 . . . . 0.0 109.287 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -162.05 42.74 0.14 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.504 1.127 . . . . 0.0 110.306 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.416 HD13 ' HB3' ' A' ' 52' ' ' CYS . 6.7 pt -110.37 -24.55 3.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.498 1.124 . . . . 0.0 109.279 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.5 mp -58.11 155.84 23.31 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 109.34 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 168.97 23.64 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.518 1.799 . . . . 0.0 111.005 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -46.49 138.3 5.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.561 1.163 . . . . 0.0 109.965 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 37.5 t -114.63 86.77 2.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.563 1.165 . . . . 0.0 109.968 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -49.57 177.18 0.03 OUTLIER Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.483 1.114 . . . . 0.0 110.985 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -144.35 145.63 32.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 0.752 . . . . 0.0 110.013 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 2.1 ttm 59.23 117.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 110.99 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 5.1 mtp -141.41 -54.23 0.46 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 0.0 111.012 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -124.87 -101.76 1.37 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.476 1.11 . . . . 0.0 110.993 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 123.89 125.05 2.95 Favored Glycine 0 CA--C 1.531 1.057 0 N-CA-C 110.979 -0.849 . . . . 0.0 110.979 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -154.84 145.7 22.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.537 0.786 . . . . 0.0 109.348 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -139.29 167.13 22.76 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 109.322 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 24.7 t80 -147.27 158.64 44.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.415 1.072 . . . . 0.0 110.953 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 10.3 p -167.3 139.26 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.545 1.153 . . . . 0.0 109.306 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 9.1 p -170.26 145.94 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.14 . . . . 0.0 109.306 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 6.5 tt0 -174.14 122.32 0.3 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.487 1.117 . . . . 0.0 110.293 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 68.2 t60 -163.24 147.96 11.2 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.132 . . . . 0.0 109.601 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 3.1 tt -169.82 130.01 1.0 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 109.335 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 28.4 tttt -170.16 143.35 2.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.135 . . . . 0.0 109.291 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . 2.3 p-90 -175.02 116.32 0.16 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.522 1.139 . . . . 0.0 107.98 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -147.34 134.61 20.61 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.538 1.149 . . . . 0.0 110.429 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 26.2 t70 176.81 99.83 0.11 Allowed Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.482 1.114 . . . . 0.0 109.302 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -179.0 4.56 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.5 1.79 . . . . 0.0 111.049 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -150.1 170.5 18.75 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.457 1.098 . . . . 0.0 110.002 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -156.77 92.64 0.13 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.496 1.122 . . . . 0.0 110.982 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 178.4 7.29 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.53 1.805 . . . . 0.0 110.993 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -164.5 176.3 9.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.963 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 1.4 t -151.36 166.94 29.46 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.108 . . . . 0.0 110.046 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.991 0 O-C-N 124.468 1.105 . . . . 0.0 110.976 -179.97 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.994 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 179.17 170.58 0.94 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 0.77 . . . . 0.0 109.959 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 69.5 m -132.12 171.86 13.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 109.976 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -140.15 177.7 20.42 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.42 1.075 . . . . 0.0 111.011 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -154.71 168.84 25.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 0.782 . . . . 0.0 110.014 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -111.07 168.33 9.58 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.462 1.101 . . . . 0.0 109.986 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 138.11 -159.05 25.02 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.495 1.122 . . . . 0.0 111.032 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 42.5 mt 63.81 89.85 0.1 OUTLIER Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.466 0.745 . . . . 0.0 109.273 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -45.95 0.26 Allowed 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.429 1.752 . . . . 0.0 111.026 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 106.55 162.07 22.37 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.538 1.149 . . . . 0.0 111.02 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -167.42 0.42 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.501 1.79 . . . . 0.0 110.96 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -103.71 81.94 0.37 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.511 1.132 . . . . 0.0 110.981 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -174.22 148.92 1.35 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.559 0.799 . . . . 0.0 111.017 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 3.1 m -143.06 -62.88 0.41 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 110.417 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . 41.24 66.2 0.71 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 109.318 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -124.34 -57.43 0.18 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.468 1.105 . . . . 0.0 110.992 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . 61.11 74.1 0.46 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 0.756 . . . . 0.0 109.297 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 6.1 pt20 -114.27 -176.21 2.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 110.332 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 116.47 54.43 0.33 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.488 1.117 . . . . 0.0 111.023 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 39.5 m -128.07 150.94 49.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 0.77 . . . . 0.0 109.983 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.798 ' SG ' ' SG ' ' A' ' 45' ' ' CYS . 46.0 m -124.47 57.09 1.26 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.548 1.155 . . . . 0.0 108.294 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 13.4 m -85.72 -47.52 9.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 109.986 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.456 HD23 ' C ' ' A' ' 23' ' ' LEU . 0.4 OUTLIER -120.58 25.84 9.51 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.506 1.129 . . . . 0.0 109.291 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.678 ' HD2' ' HB3' ' A' ' 27' ' ' ALA . 1.5 mtt180 -108.9 -92.19 0.43 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.446 1.091 . . . . 0.0 110.341 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 65.6 m 59.61 40.11 20.54 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.113 . . . . 0.0 108.32 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 168.61 55.19 0.03 OUTLIER Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.547 1.155 . . . . 0.0 110.973 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.678 ' HB3' ' HD2' ' A' ' 24' ' ' ARG . . . -156.36 164.4 38.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 0.768 . . . . 0.0 109.265 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -126.29 127.01 44.92 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.112 . . . . 0.0 110.317 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -128.17 174.99 8.78 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 109.321 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -79.8 -56.55 3.29 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.466 1.104 . . . . 0.0 110.986 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -57.68 -43.46 85.09 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.488 0.758 . . . . 0.0 109.307 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.415 ' SG ' ' N ' ' A' ' 33' ' ' SER . 0.8 OUTLIER -149.05 -165.3 2.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.113 . . . . 0.0 108.295 -179.96 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.436 ' N ' ' O ' ' A' ' 43' ' ' THR . 22.2 t -158.32 138.22 12.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.14 . . . . 0.0 110.01 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.438 ' N ' ' O ' ' A' ' 27' ' ' ALA . 12.1 m -101.55 23.51 11.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.097 . . . . 0.0 108.315 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.519 ' CG ' ' HD2' ' A' ' 36' ' ' PRO . 0.1 OUTLIER -100.83 152.09 37.76 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.112 . . . . 0.0 109.546 -179.952 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.519 ' HD2' ' CG ' ' A' ' 35' ' ' HIS . 18.2 Cg_endo -75.07 -5.65 17.03 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.469 1.773 . . . . 0.0 110.995 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.576 ' O ' HD12 ' A' ' 41' ' ' LEU . 41.9 p -92.7 -6.9 48.21 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.13 . . . . 0.0 110.386 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.439 ' O ' ' N ' ' A' ' 42' ' ' GLY . 18.5 p -62.29 -17.6 59.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 108.277 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 59.6 p -70.64 -40.82 72.84 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 109.982 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -76.07 -33.87 48.67 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.494 1.121 . . . . 0.0 110.958 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.576 HD12 ' O ' ' A' ' 37' ' ' THR . 1.1 mt -81.95 -57.93 3.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 0.76 . . . . 0.0 109.33 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.439 ' N ' ' O ' ' A' ' 38' ' ' CYS . . . 109.89 34.92 2.28 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.529 1.143 . . . . 0.0 111.02 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.436 ' O ' ' N ' ' A' ' 33' ' ' SER . 62.5 p -116.63 24.17 11.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 0.745 . . . . 0.0 110.402 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 52.2 m -65.99 147.17 53.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 108.3 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . 0.798 ' SG ' ' SG ' ' A' ' 21' ' ' CYS . 0.1 OUTLIER -84.46 163.71 19.28 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.468 1.105 . . . . 0.0 108.268 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -75.06 -25.41 58.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 110.299 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -113.01 17.35 18.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 109.327 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.455 ' O ' ' N ' ' A' ' 52' ' ' CYS . 20.2 t80 -69.04 -48.16 63.59 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.469 1.106 . . . . 0.0 110.998 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.453 ' O ' ' CG ' ' A' ' 53' ' ' LEU . 5.3 mt -73.61 -30.97 63.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.552 1.157 . . . . 0.0 109.295 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -58.69 -38.55 78.48 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.538 1.149 . . . . 0.0 109.284 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.488 ' CB ' ' O ' ' A' ' 21' ' ' CYS . 26.8 m-85 -100.89 -22.64 14.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 110.985 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . 0.455 ' N ' ' O ' ' A' ' 48' ' ' PHE . 1.8 m -122.57 65.36 0.95 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 108.285 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.453 ' CG ' ' O ' ' A' ' 49' ' ' LEU . 0.3 OUTLIER -104.18 30.53 5.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 0.0 109.323 179.971 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -175.15 37.04 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.464 1.102 . . . . 0.0 110.302 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 6.5 pt -110.29 -25.49 3.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 109.284 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.8 mt -52.83 154.83 4.58 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.527 1.142 . . . . 0.0 109.321 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 173.36 14.64 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.53 1.805 . . . . 0.0 110.978 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 20.9 p -61.78 146.17 50.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 0.0 110.0 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 32.2 t -83.57 133.25 34.87 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.453 1.096 . . . . 0.0 110.0 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -119.41 148.95 18.11 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.504 1.128 . . . . 0.0 111.006 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 56.3 85.17 0.08 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 0.758 . . . . 0.0 109.965 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . 0.404 ' O ' ' N ' ' A' ' 64' ' ' GLY . 0.0 OUTLIER -81.66 125.75 30.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 110.97 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 67.0 -71.4 0.1 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.46 1.1 . . . . 0.0 110.99 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . 0.404 ' N ' ' O ' ' A' ' 62' ' ' MET . . . 137.82 145.43 4.88 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.478 1.111 . . . . 0.0 110.989 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -62.42 138.08 45.19 Favored Glycine 0 CA--C 1.531 1.053 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 2.6 pttt -122.11 145.02 48.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 0.777 . . . . 0.0 109.313 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -115.38 115.66 26.96 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.121 . . . . 0.0 109.348 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 54.0 p90 -69.5 143.55 53.45 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 110.982 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 9.8 p -75.87 144.47 11.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 0.0 109.309 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 8.1 p -136.73 158.97 37.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.124 . . . . 0.0 109.301 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -110.86 165.97 11.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 110.342 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 2.2 t-80 -148.25 173.54 12.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 109.6 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 1.7 pp -156.51 144.65 19.63 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 1.9 tttt -176.75 159.79 1.84 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.444 1.09 . . . . 0.0 109.311 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -126.0 156.7 39.45 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 0.0 108.025 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 53.6 m -141.66 143.64 33.72 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 110.386 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -124.84 145.87 51.29 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.532 1.145 . . . . 0.0 109.265 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 179.92 5.61 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.453 1.765 . . . . 0.0 110.998 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 28.8 p -157.29 168.79 26.34 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.48 1.113 . . . . 0.0 109.975 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 160.94 97.24 0.12 Allowed Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.437 1.085 . . . . 0.0 111.001 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -54.51 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.447 1.762 . . . . 0.0 111.011 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 89.9 p 179.49 166.86 1.11 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.102 . . . . 0.0 110.011 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 12.8 t -111.86 -57.28 2.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 110.015 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.052 0 O-C-N 124.472 1.107 . . . . 0.0 110.978 -179.995 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.969 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -160.37 -58.76 0.06 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 0.745 . . . . 0.0 109.99 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.1 m 58.57 169.18 0.06 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.491 1.119 . . . . 0.0 110.022 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -111.13 175.71 17.95 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.476 1.11 . . . . 0.0 111.006 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.3 t -176.29 156.11 1.57 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.5 0.765 . . . . 0.0 110.034 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.8 m 62.93 155.96 0.05 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.534 1.146 . . . . 0.0 109.996 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -121.43 -135.86 4.88 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.499 1.124 . . . . 0.0 110.985 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 1.3 tt -162.19 87.26 1.48 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.509 0.77 . . . . 0.0 109.29 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 175.97 10.55 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.502 1.791 . . . . 0.0 110.983 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -174.1 75.7 0.08 OUTLIER Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.464 1.102 . . . . 0.0 111.019 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 161.81 38.23 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.498 1.788 . . . . 0.0 110.976 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -179.38 79.81 0.06 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.478 1.111 . . . . 0.0 111.017 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -172.0 133.26 0.71 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 0.773 . . . . 0.0 111.02 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.479 HG23 ' O ' ' A' ' 14' ' ' THR . 6.5 t -157.19 112.48 2.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 110.392 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -137.76 146.71 43.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.102 . . . . 0.0 109.257 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 109.55 -118.73 5.26 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.492 1.12 . . . . 0.0 110.98 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.76 115.47 7.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 0.773 . . . . 0.0 109.299 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -88.49 -71.79 0.57 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.514 1.134 . . . . 0.0 110.327 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -113.43 47.96 0.99 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.497 1.123 . . . . 0.0 110.998 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 34.5 m -122.73 150.97 42.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 0.745 . . . . 0.0 110.029 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.79 ' SG ' ' SG ' ' A' ' 45' ' ' CYS . 64.5 m -124.01 57.12 1.22 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 108.342 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 41.5 p -65.31 -63.75 1.03 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 110.011 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.626 ' C ' HD12 ' A' ' 23' ' ' LEU . 2.6 pp -110.89 -21.54 11.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 109.306 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.724 ' HD2' ' HB3' ' A' ' 27' ' ' ALA . 0.3 OUTLIER -44.53 -94.12 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 110.324 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 41.0 m 59.34 37.94 23.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 108.295 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.439 ' N ' ' O ' ' A' ' 34' ' ' CYS . . . 168.03 56.18 0.03 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.552 1.157 . . . . 0.0 111.004 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.724 ' HB3' ' HD2' ' A' ' 24' ' ' ARG . . . -154.09 169.02 24.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 0.751 . . . . 0.0 109.268 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 18.5 mt-30 -126.15 127.23 45.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.153 . . . . 0.0 110.305 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -128.11 173.1 10.37 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 109.3 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -82.04 -52.52 4.03 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.439 1.087 . . . . 0.0 110.996 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 5.1 mt -63.8 -39.15 93.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.555 0.797 . . . . 0.0 109.291 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.425 ' SG ' ' N ' ' A' ' 33' ' ' SER . 0.8 OUTLIER -150.31 -164.62 2.06 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.464 1.103 . . . . 0.0 108.324 179.973 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.442 ' N ' ' O ' ' A' ' 43' ' ' THR . 11.0 t -160.42 137.23 9.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 110.045 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.439 ' O ' ' N ' ' A' ' 26' ' ' GLY . 13.3 m -102.14 31.27 4.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 108.322 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.521 ' CG ' ' HD2' ' A' ' 36' ' ' PRO . 0.2 OUTLIER -112.24 151.99 44.11 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 109.58 -179.964 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.521 ' HD2' ' CG ' ' A' ' 35' ' ' HIS . 18.3 Cg_endo -74.99 -2.5 12.62 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.514 1.797 . . . . 0.0 111.012 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.492 ' O ' HD12 ' A' ' 41' ' ' LEU . 78.8 p -90.52 -7.86 51.84 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.551 1.157 . . . . 0.0 110.356 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.451 ' O ' ' N ' ' A' ' 42' ' ' GLY . 20.1 p -64.14 -18.32 64.33 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.528 1.143 . . . . 0.0 108.265 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.3 -43.17 78.23 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.118 . . . . 0.0 109.99 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -76.08 -33.97 48.38 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.541 1.151 . . . . 0.0 110.963 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.492 HD12 ' O ' ' A' ' 37' ' ' THR . 1.2 mt -82.81 -68.08 0.73 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.458 0.74 . . . . 0.0 109.279 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.451 ' N ' ' O ' ' A' ' 38' ' ' CYS . . . 118.98 41.77 0.58 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.536 1.148 . . . . 0.0 110.984 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.442 ' O ' ' N ' ' A' ' 33' ' ' SER . 82.8 p -121.98 23.29 10.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.448 0.734 . . . . 0.0 110.387 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 27.4 m -63.28 144.68 56.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.106 . . . . 0.0 108.312 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . 0.79 ' SG ' ' SG ' ' A' ' 21' ' ' CYS . 0.8 OUTLIER -82.94 160.59 22.04 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.556 1.16 . . . . 0.0 108.291 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -71.17 -26.51 63.01 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.534 1.146 . . . . 0.0 110.297 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -113.1 15.29 19.55 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 109.305 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.458 ' O ' ' N ' ' A' ' 52' ' ' CYS . 16.4 t80 -69.0 -48.02 64.09 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 110.998 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.493 ' O ' ' CB ' ' A' ' 53' ' ' LEU . 9.0 mt -73.51 -35.85 65.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 109.265 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.43 ' HA ' HD12 ' A' ' 53' ' ' LEU . 1.0 OUTLIER -58.81 -40.73 84.97 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.469 1.106 . . . . 0.0 109.308 -179.967 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -93.85 -22.3 18.73 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.496 1.122 . . . . 0.0 111.026 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . 0.503 ' HB3' HG21 ' A' ' 55' ' ' ILE . 1.7 m -128.67 64.21 1.44 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 108.32 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.493 ' CB ' ' O ' ' A' ' 49' ' ' LEU . 0.3 OUTLIER -97.85 13.93 28.86 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.544 1.153 . . . . 0.0 109.241 -179.943 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -157.91 40.67 0.28 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.541 1.151 . . . . 0.0 110.249 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.503 HG21 ' HB3' ' A' ' 52' ' ' CYS . 6.4 pt -110.89 -28.27 2.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.151 . . . . 0.0 109.305 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.1 mp -55.45 155.03 10.69 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.429 1.081 . . . . 0.0 109.278 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -46.83 0.22 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.484 1.781 . . . . 0.0 111.011 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 84.0 p -177.23 154.04 1.01 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.498 1.124 . . . . 0.0 110.004 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 54.3 p -73.2 97.54 2.44 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.54 1.15 . . . . 0.0 110.01 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -74.04 103.58 1.5 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.507 1.129 . . . . 0.0 110.998 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -139.24 92.33 2.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 0.776 . . . . 0.0 109.982 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -71.07 -56.5 6.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 111.008 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 4.0 mtt 46.52 93.13 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.46 1.1 . . . . 0.0 110.997 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -77.37 -145.29 2.16 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.498 1.124 . . . . 0.0 110.995 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 106.91 135.43 7.91 Favored Glycine 0 CA--C 1.53 0.992 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 2.0 mtmt -89.33 148.58 23.45 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.461 0.742 . . . . 0.0 109.242 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -109.82 140.47 43.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.1 . . . . 0.0 109.309 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.468 ' HD1' HG13 ' A' ' 70' ' ' VAL . 0.7 OUTLIER -86.83 145.22 26.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 111.032 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.508 ' O ' HG22 ' A' ' 70' ' ' VAL . 71.3 t -98.57 -67.08 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.543 1.152 . . . . 0.0 109.263 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.508 HG22 ' O ' ' A' ' 69' ' ' VAL . 12.3 m 44.26 -163.98 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 109.325 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 177.39 166.33 0.61 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 110.303 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 4.8 p-80 -146.9 159.46 43.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.125 . . . . 0.0 109.584 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -133.58 176.66 8.34 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.534 1.146 . . . . 0.0 109.287 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.45 175.58 13.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 109.274 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . 15.2 t-105 -147.73 154.81 41.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.122 . . . . 0.0 108.031 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 68.5 p -139.92 176.67 8.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 110.408 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -146.18 124.57 6.36 Favored Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.505 1.128 . . . . 0.0 109.297 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 178.39 7.34 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.475 1.777 . . . . 0.0 111.004 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 59.9 m -134.98 167.74 20.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 110.023 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -156.23 96.36 0.16 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.511 1.132 . . . . 0.0 111.0 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 177.57 8.43 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.511 1.795 . . . . 0.0 111.002 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 24.0 t -142.62 179.04 7.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.123 . . . . 0.0 110.045 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 27.4 p -133.72 173.86 11.06 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 0.0 110.043 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.979 0 O-C-N 124.496 1.122 . . . . 0.0 111.031 179.976 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 59.4 p 43.65 89.09 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.539 0.787 . . . . 0.0 109.964 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 t -177.49 163.42 1.96 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 109.982 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -115.4 53.79 0.6 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.46 1.1 . . . . 0.0 111.0 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.0 t -173.66 118.97 0.28 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 0.766 . . . . 0.0 110.031 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 74.9 p -85.32 81.56 8.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.122 . . . . 0.0 110.014 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 50.76 177.37 0.02 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.473 1.108 . . . . 0.0 110.976 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 3.1 tt 41.65 65.81 4.38 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.495 0.762 . . . . 0.0 109.331 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.93 69.64 5.44 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.524 1.802 . . . . 0.0 110.993 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.48 156.05 7.69 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.541 1.151 . . . . 0.0 111.028 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 158.6 41.99 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.545 1.813 . . . . 0.0 111.019 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -76.54 101.76 1.55 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.487 1.117 . . . . 0.0 111.003 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 8.3 t80 -145.84 117.63 8.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.447 0.733 . . . . 0.0 110.992 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 6.5 m -139.1 91.6 2.53 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.564 1.165 . . . . 0.0 110.443 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -143.4 142.54 31.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.241 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -118.21 -80.33 0.72 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.465 1.103 . . . . 0.0 111.027 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -128.09 119.49 25.47 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.499 0.764 . . . . 0.0 109.296 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 9.1 mp0 -115.56 167.6 10.75 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 110.333 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 118.6 57.89 0.27 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.509 1.131 . . . . 0.0 111.014 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 5.8 p -123.68 150.91 43.7 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 0.77 . . . . 0.0 109.997 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.714 ' SG ' ' SG ' ' A' ' 45' ' ' CYS . 66.1 m -127.02 48.85 2.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 0.0 108.314 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -75.79 -53.85 7.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.14 . . . . 0.0 109.992 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.494 ' N ' HD13 ' A' ' 23' ' ' LEU . 0.0 OUTLIER -117.93 36.28 4.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.554 1.159 . . . . 0.0 109.322 179.975 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.695 ' HD2' ' HB3' ' A' ' 27' ' ' ALA . 0.3 OUTLIER -120.45 -93.68 0.51 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.14 . . . . 0.0 110.274 -179.951 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 51.7 m 59.87 40.04 19.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 108.328 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 166.87 55.44 0.03 OUTLIER Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.487 1.117 . . . . 0.0 111.002 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.695 ' HB3' ' HD2' ' A' ' 24' ' ' ARG . . . -153.63 165.83 34.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 0.758 . . . . 0.0 109.31 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 75.9 mt-30 -126.22 127.02 45.0 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.455 1.097 . . . . 0.0 110.304 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.491 ' CB ' ' O ' ' A' ' 32' ' ' CYS . 0.1 OUTLIER -128.39 177.61 6.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 0.0 109.272 -179.968 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -83.22 -52.28 3.85 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.486 1.116 . . . . 0.0 111.021 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 21.2 mt -63.99 -44.69 91.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 0.775 . . . . 0.0 109.338 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.491 ' O ' ' CB ' ' A' ' 29' ' ' ASP . 0.8 OUTLIER -149.38 -179.77 7.32 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 108.285 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.428 ' N ' ' O ' ' A' ' 43' ' ' THR . 23.0 t -144.66 140.76 28.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.432 1.082 . . . . 0.0 110.005 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.409 ' N ' ' O ' ' A' ' 27' ' ' ALA . 22.2 m -104.33 21.62 16.3 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.559 1.162 . . . . 0.0 108.288 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.523 ' CG ' ' HD2' ' A' ' 36' ' ' PRO . 0.2 OUTLIER -98.66 151.5 37.47 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 0.0 109.577 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.523 ' HD2' ' CG ' ' A' ' 35' ' ' HIS . 18.4 Cg_endo -74.95 -2.22 12.24 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.459 1.768 . . . . 0.0 111.04 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.796 ' O ' HD12 ' A' ' 41' ' ' LEU . 31.7 p -94.48 -8.5 38.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 110.447 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.44 ' O ' ' N ' ' A' ' 42' ' ' GLY . 19.6 p -61.85 -21.52 64.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.115 . . . . 0.0 108.296 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 20.7 t -66.71 -42.06 86.99 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.518 1.136 . . . . 0.0 109.957 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -75.74 -30.32 58.07 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.49 1.119 . . . . 0.0 111.0 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.796 HD12 ' O ' ' A' ' 37' ' ' THR . 1.1 mt -84.35 -68.5 0.71 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 0.757 . . . . 0.0 109.303 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 38' ' ' CYS . . . 120.4 40.03 0.6 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.548 1.155 . . . . 0.0 110.948 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.428 ' O ' ' N ' ' A' ' 33' ' ' SER . 30.8 p -124.74 24.1 7.81 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 0.767 . . . . 0.0 110.399 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 32.2 m -65.44 145.61 55.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 108.271 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . 0.714 ' SG ' ' SG ' ' A' ' 21' ' ' CYS . 0.8 OUTLIER -79.54 160.37 26.51 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.556 1.16 . . . . 0.0 108.327 179.947 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -70.7 -26.28 63.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.148 . . . . 0.0 110.298 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 28.1 p30 -113.39 18.85 17.45 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.454 1.096 . . . . 0.0 109.315 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.455 ' O ' ' N ' ' A' ' 52' ' ' CYS . 13.0 t80 -69.33 -48.21 62.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 111.003 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.454 ' O ' ' CB ' ' A' ' 53' ' ' LEU . 5.9 mt -73.66 -35.07 65.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 109.287 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -58.58 -38.96 79.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 109.307 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -97.02 -20.75 17.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.457 1.098 . . . . 0.0 110.982 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . 0.455 ' N ' ' O ' ' A' ' 48' ' ' PHE . 1.9 m -127.58 64.13 1.35 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 108.298 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.454 ' CB ' ' O ' ' A' ' 49' ' ' LEU . 0.3 OUTLIER -101.81 31.09 4.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 109.268 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -176.2 37.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 110.294 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 6.8 pt -110.53 -24.64 3.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.454 1.096 . . . . 0.0 109.309 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.3 mt -49.65 154.78 1.58 Allowed Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.526 1.141 . . . . 0.0 109.321 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -55.32 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.497 1.788 . . . . 0.0 110.976 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 4.7 t -176.78 162.01 2.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.125 . . . . 0.0 110.007 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -108.61 81.38 1.45 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 0.0 109.997 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -85.58 -172.91 49.32 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.449 1.093 . . . . 0.0 110.995 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 50.8 m -82.96 173.62 11.63 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.497 0.763 . . . . 0.0 110.021 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 3.7 ptt? -119.03 -36.52 3.39 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 110.944 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 5.6 ttt -152.57 -56.46 0.13 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.139 . . . . 0.0 111.018 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 89.05 -105.59 3.21 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.517 1.135 . . . . 0.0 110.998 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -175.79 -105.51 0.19 Allowed Glycine 0 CA--C 1.53 1.01 0 N-CA-C 110.986 -0.845 . . . . 0.0 110.986 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -128.67 167.6 16.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 0.764 . . . . 0.0 109.303 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -106.49 -58.6 1.9 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.443 1.089 . . . . 0.0 109.286 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -170.9 166.41 7.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.117 . . . . 0.0 110.995 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 63.2 t 63.33 144.53 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.506 1.129 . . . . 0.0 109.32 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 82.6 t -130.51 134.56 62.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.31 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -59.24 170.89 0.84 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.466 1.104 . . . . 0.0 110.281 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 80.5 t60 -78.5 170.9 15.9 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.11 . . . . 0.0 109.64 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -103.95 177.86 4.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.449 1.093 . . . . 0.0 109.278 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -126.41 147.79 49.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.323 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -51.75 148.61 5.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 107.999 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 2.2 m 59.17 114.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 110.403 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -117.02 122.0 31.86 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.314 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 165.83 30.41 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.493 1.786 . . . . 0.0 110.97 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -169.32 160.73 9.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 109.991 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 160.28 97.27 0.12 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.526 1.141 . . . . 0.0 111.025 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -53.41 0.1 OUTLIER 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.525 1.803 . . . . 0.0 110.943 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 1.3 m 59.41 157.13 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.143 . . . . 0.0 110.005 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -155.87 -58.61 0.1 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.445 1.091 . . . . 0.0 110.001 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.975 0 O-C-N 124.477 1.111 . . . . 0.0 110.996 -179.979 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.021 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 83.3 p -166.21 149.05 7.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 0.768 . . . . 0.0 109.992 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 88.5 p -153.88 170.18 21.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 109.95 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -121.06 -59.64 0.23 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.467 1.105 . . . . 0.0 110.98 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 62.93 171.18 0.15 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.453 0.737 . . . . 0.0 110.028 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -158.63 142.9 15.71 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 0.0 110.008 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -101.99 168.49 19.18 Favored Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.513 1.133 . . . . 0.0 111.055 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.743 HD13 ' H ' ' A' ' 8' ' ' ILE . 0.2 OUTLIER -129.59 154.87 80.93 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.476 0.751 . . . . 0.0 109.328 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 -179.83 5.37 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.462 1.77 . . . . 0.0 111.058 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -152.3 87.45 0.14 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.5 1.125 . . . . 0.0 111.011 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 168.01 25.78 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.463 1.77 . . . . 0.0 110.999 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -149.84 -109.27 0.48 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.467 1.105 . . . . 0.0 110.978 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 93.6 m-85 -128.39 -56.02 1.24 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.466 0.745 . . . . 0.0 111.037 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 18.9 m 54.64 94.32 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.464 1.103 . . . . 0.0 110.396 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -101.57 142.04 33.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.279 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -98.17 88.69 0.91 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.523 1.139 . . . . 0.0 111.003 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -172.44 87.6 0.08 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 0.748 . . . . 0.0 109.307 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.587 ' O ' HD13 ' A' ' 31' ' ' LEU . 0.8 OUTLIER -177.38 162.41 1.89 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.111 . . . . 0.0 110.279 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 142.46 64.28 0.03 OUTLIER Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.45 1.094 . . . . 0.0 111.006 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 9.2 p -128.14 150.98 49.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 0.786 . . . . 0.0 110.034 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.776 ' SG ' ' SG ' ' A' ' 45' ' ' CYS . 62.9 m -126.7 50.39 1.95 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.108 . . . . 0.0 108.302 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 4.1 m -80.71 -50.67 9.6 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.994 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -114.71 34.07 5.0 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.536 1.147 . . . . 0.0 109.315 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.7 ' HD2' ' HB3' ' A' ' 27' ' ' ALA . 0.6 OUTLIER -121.79 -93.43 0.52 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 110.332 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 59.9 m 59.37 40.26 21.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 108.286 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 167.32 54.86 0.03 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.54 1.15 . . . . 0.0 110.965 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.7 ' HB3' ' HD2' ' A' ' 24' ' ' ARG . . . -154.22 166.25 33.73 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.488 0.758 . . . . 0.0 109.312 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.488 ' NE2' ' ND1' ' A' ' 35' ' ' HIS . 3.1 mm-40 -126.17 127.02 45.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.575 1.172 . . . . 0.0 110.255 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -128.22 177.69 6.76 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.515 1.134 . . . . 0.0 109.297 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -83.96 -56.65 2.55 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.489 1.118 . . . . 0.0 110.99 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.587 HD13 ' O ' ' A' ' 18' ' ' GLN . 6.6 mt -58.89 -45.37 90.39 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 0.753 . . . . 0.0 109.315 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -145.48 -170.11 3.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.11 . . . . 0.0 108.268 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.446 ' N ' ' O ' ' A' ' 43' ' ' THR . 7.1 t -153.74 138.22 16.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 0.0 110.028 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 11.7 m -102.3 20.62 16.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 0.0 108.326 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.523 ' CG ' ' HD2' ' A' ' 36' ' ' PRO . 0.1 OUTLIER -95.39 151.63 38.77 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.466 1.104 . . . . 0.0 109.596 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.523 ' HD2' ' CG ' ' A' ' 35' ' ' HIS . 18.5 Cg_endo -74.94 0.15 9.22 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.487 1.783 . . . . 0.0 111.031 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -96.61 -9.0 30.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 110.366 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.442 ' O ' ' N ' ' A' ' 42' ' ' GLY . 12.9 p -52.72 -22.47 5.26 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 108.291 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.36 -44.59 67.79 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 110.035 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -76.22 -33.73 48.35 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.493 1.121 . . . . 0.0 111.015 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 67.9 mt -81.05 -59.56 2.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 0.742 . . . . 0.0 109.275 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.442 ' N ' ' O ' ' A' ' 38' ' ' CYS . . . 112.65 27.94 3.64 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.504 1.128 . . . . 0.0 111.052 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.446 ' O ' ' N ' ' A' ' 33' ' ' SER . 47.2 p -116.86 44.54 2.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 0.758 . . . . 0.0 110.396 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 39.5 m -79.62 146.64 32.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 108.269 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . 0.776 ' SG ' ' SG ' ' A' ' 21' ' ' CYS . 1.3 m -86.18 163.27 17.91 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.545 1.153 . . . . 0.0 108.297 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -74.59 -28.07 60.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.113 . . . . 0.0 110.314 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -113.13 18.08 18.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 109.282 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.455 ' O ' ' N ' ' A' ' 52' ' ' CYS . 22.7 t80 -69.05 -48.42 62.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 110.978 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.45 ' O ' ' CB ' ' A' ' 53' ' ' LEU . 4.9 mt -73.76 -31.81 63.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.142 . . . . 0.0 109.292 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -58.74 -39.48 81.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.304 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 22.2 m-85 -99.31 -21.96 15.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 110.984 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . 0.476 ' HB3' HD13 ' A' ' 55' ' ' ILE . 1.7 m -124.02 64.94 1.05 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 108.283 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.45 ' CB ' ' O ' ' A' ' 49' ' ' LEU . 0.3 OUTLIER -102.56 29.38 5.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 109.298 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -174.65 38.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 0.0 110.291 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.476 HD13 ' HB3' ' A' ' 52' ' ' CYS . 9.5 pt -110.78 -28.3 2.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 109.262 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 6.3 mt -49.82 156.06 1.34 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.474 1.109 . . . . 0.0 109.29 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -54.96 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.474 1.776 . . . . 0.0 110.996 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 179.05 171.61 0.86 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 110.024 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 93.5 p -146.16 94.37 2.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 109.98 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 118.76 -53.56 0.66 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.487 1.117 . . . . 0.0 110.996 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -42.74 143.42 0.7 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.52 0.776 . . . . 0.0 110.027 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -159.05 150.33 20.29 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.565 1.165 . . . . 0.0 111.031 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -105.84 -30.83 9.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.421 1.076 . . . . 0.0 111.025 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 41.14 -162.74 0.01 OUTLIER Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.46 1.1 . . . . 0.0 111.031 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 107.79 144.59 11.38 Favored Glycine 0 CA--C 1.53 0.977 0 N-CA-C 111.029 -0.829 . . . . 0.0 111.029 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 6.3 tmtt? -172.91 144.7 1.33 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.456 0.739 . . . . 0.0 109.321 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -178.1 155.01 0.91 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.296 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -155.06 146.5 23.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.11 . . . . 0.0 111.009 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 7.5 p -169.91 138.43 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.52 1.138 . . . . 0.0 109.288 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 16.0 m -137.06 177.92 5.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.147 . . . . 0.0 109.296 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 30.2 pt20 -178.31 152.11 0.67 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 110.3 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 29.7 m-70 58.64 166.94 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.564 1.165 . . . . 0.0 109.557 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 23.6 tp -166.33 -65.21 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.298 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.514 ' O ' ' CG ' ' A' ' 75' ' ' TRP . 0.0 OUTLIER -106.16 -61.73 1.47 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 109.264 -179.965 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' TRP . . . . . 0.514 ' CG ' ' O ' ' A' ' 74' ' ' LYS . 37.6 m95 -170.76 174.48 4.9 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.469 1.106 . . . . 0.0 108.039 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.558 ' O ' HG23 ' A' ' 76' ' ' THR . 9.3 t -88.3 64.44 7.61 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.509 1.131 . . . . 0.0 110.402 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 62.47 145.3 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 109.347 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -177.42 3.46 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.505 1.792 . . . . 0.0 111.018 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 50.0 p -41.0 -55.68 2.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.153 . . . . 0.0 110.007 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 85.89 85.49 1.03 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.493 1.12 . . . . 0.0 110.993 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -179.53 5.08 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.493 1.786 . . . . 0.0 111.041 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 54.03 170.76 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.147 . . . . 0.0 110.012 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -174.55 162.65 3.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.537 1.148 . . . . 0.0 110.002 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 O-C-N 124.43 1.081 . . . . 0.0 110.985 179.962 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 77.6 p -175.47 156.79 2.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 0.775 . . . . 0.0 109.987 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 93.5 p -163.97 163.45 23.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.113 . . . . 0.0 110.006 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -132.41 -148.78 6.11 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.496 1.123 . . . . 0.0 110.999 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 66.1 p -179.6 164.1 1.24 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.561 0.8 . . . . 0.0 109.999 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.2 m -158.91 135.13 9.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 110.024 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -134.2 -105.66 0.88 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.497 1.123 . . . . 0.0 110.949 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 2.8 mp 64.26 83.81 0.19 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.481 0.753 . . . . 0.0 109.303 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 141.86 27.14 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.502 1.791 . . . . 0.0 110.998 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -111.88 96.66 0.87 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.46 1.1 . . . . 0.0 110.999 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -50.85 0.12 Allowed 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.423 1.749 . . . . 0.0 110.994 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 73.41 135.72 0.27 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.553 1.158 . . . . 0.0 111.033 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -114.94 151.51 33.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 0.776 . . . . 0.0 110.91 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 14.2 t -140.49 152.55 45.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.135 . . . . 0.0 110.369 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . 46.55 73.27 0.19 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.46 1.1 . . . . 0.0 109.29 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -144.99 -154.94 6.28 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.516 1.135 . . . . 0.0 111.037 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -45.04 135.15 5.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 0.76 . . . . 0.0 109.309 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -89.19 -69.91 0.69 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 110.302 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -129.62 54.29 0.79 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.471 1.107 . . . . 0.0 110.992 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 45.1 t -128.03 150.87 49.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 0.741 . . . . 0.0 110.06 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.834 ' SG ' ' SG ' ' A' ' 45' ' ' CYS . 71.6 m -126.85 48.56 2.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 108.328 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.595 ' O ' ' CD1' ' A' ' 51' ' ' TYR . 0.2 OUTLIER -48.26 -73.3 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 110.046 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.967 ' O ' HD22 ' A' ' 23' ' ' LEU . 0.0 OUTLIER -114.1 -4.43 13.15 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 0.0 109.268 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.613 ' N ' HD13 ' A' ' 23' ' ' LEU . 5.4 mmp_? -46.87 -93.19 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 110.281 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 87.5 m 59.33 40.3 21.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.145 . . . . 0.0 108.298 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 166.1 55.98 0.03 OUTLIER Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.521 1.138 . . . . 0.0 110.981 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.413 ' O ' ' N ' ' A' ' 34' ' ' CYS . . . -156.13 159.12 38.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.543 0.79 . . . . 0.0 109.277 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.43 ' CG ' ' HB2' ' A' ' 35' ' ' HIS . 61.2 mt-30 -126.05 127.15 45.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 110.252 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -128.37 177.05 7.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 109.282 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -81.73 -58.64 2.48 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.551 1.157 . . . . 0.0 111.014 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.7 mt -57.22 -45.28 83.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.55 0.794 . . . . 0.0 109.309 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.41 ' HA ' ' O ' ' A' ' 43' ' ' THR . 0.7 OUTLIER -146.39 -168.96 3.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.103 . . . . 0.0 108.347 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.443 ' N ' ' O ' ' A' ' 43' ' ' THR . 38.0 t -159.16 144.73 16.17 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.983 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.426 ' HA ' ' CD1' ' A' ' 48' ' ' PHE . 7.8 m -106.72 14.28 27.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.112 . . . . 0.0 108.299 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.44 ' CG ' ' HD2' ' A' ' 36' ' ' PRO . 0.0 OUTLIER -88.05 154.85 52.5 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.451 1.094 . . . . 0.0 109.608 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.44 ' HD2' ' CG ' ' A' ' 35' ' ' HIS . 18.2 Cg_endo -75.0 -18.27 18.86 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.472 1.775 . . . . 0.0 110.999 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.531 ' O ' HD12 ' A' ' 41' ' ' LEU . 21.0 p -82.03 -11.67 58.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 110.381 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.4 ' SG ' ' O ' ' A' ' 35' ' ' HIS . 14.3 p -57.93 -18.94 26.46 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.554 1.159 . . . . 0.0 108.344 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 15.6 t -70.78 -42.62 70.14 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.537 1.148 . . . . 0.0 109.998 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -74.66 -33.4 55.85 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.487 1.117 . . . . 0.0 110.977 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.531 HD12 ' O ' ' A' ' 37' ' ' THR . 1.1 mt -81.47 -54.35 5.52 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 0.762 . . . . 0.0 109.294 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 105.47 37.89 2.53 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.482 1.114 . . . . 0.0 110.981 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.443 ' O ' ' N ' ' A' ' 33' ' ' SER . 41.5 p -118.04 18.39 13.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.557 0.798 . . . . 0.0 110.375 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 61.7 m -61.91 149.27 40.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.456 1.098 . . . . 0.0 108.299 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . 0.834 ' SG ' ' SG ' ' A' ' 21' ' ' CYS . 0.8 OUTLIER -86.53 169.2 13.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 108.28 -179.967 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -78.98 -22.64 45.3 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.511 1.132 . . . . 0.0 110.281 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 32.3 p30 -113.01 15.02 19.74 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.285 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.453 ' O ' ' N ' ' A' ' 52' ' ' CYS . 22.6 t80 -68.73 -48.16 64.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.455 1.097 . . . . 0.0 110.997 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.49 ' O ' ' CB ' ' A' ' 53' ' ' LEU . 8.5 mt -73.47 -35.09 65.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 109.273 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.446 ' HA ' HD12 ' A' ' 53' ' ' LEU . 0.1 OUTLIER -58.6 -39.77 81.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 109.303 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.595 ' CD1' ' O ' ' A' ' 22' ' ' SER . 6.3 m-85 -95.58 -22.13 17.81 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 111.038 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . 0.471 ' HB3' HD13 ' A' ' 55' ' ' ILE . 1.8 m -128.15 64.63 1.39 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 108.331 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.49 ' CB ' ' O ' ' A' ' 49' ' ' LEU . 0.2 OUTLIER -99.77 28.44 4.73 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.528 1.142 . . . . 0.0 109.254 -179.948 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -177.74 40.88 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.474 1.109 . . . . 0.0 110.317 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.471 HD13 ' HB3' ' A' ' 52' ' ' CYS . 7.2 pt -110.05 -25.63 3.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 109.313 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.3 mt -54.03 155.01 6.87 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.137 . . . . 0.0 109.294 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 90.45 1.08 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.515 1.797 . . . . 0.0 111.034 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -129.1 99.97 5.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 0.0 110.007 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 4.3 t -128.74 -59.66 1.13 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 0.0 109.965 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -146.9 -157.93 7.58 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.565 1.165 . . . . 0.0 110.979 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 63.7 p -134.94 102.1 5.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 0.758 . . . . 0.0 110.034 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 10.8 mtm 50.59 88.34 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 111.019 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -102.16 85.75 2.72 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 110.983 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 154.91 -82.71 0.16 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.52 1.138 . . . . 0.0 111.005 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 66.61 96.39 0.03 OUTLIER Glycine 0 CA--C 1.531 1.045 0 N-CA-C 110.946 -0.861 . . . . 0.0 110.946 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 11.9 tttt 60.91 174.47 0.1 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 0.767 . . . . 0.0 109.34 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -155.01 151.34 28.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.57 1.169 . . . . 0.0 109.315 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 26.4 t80 -164.06 155.25 15.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.105 . . . . 0.0 111.002 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 8.2 p -148.93 159.06 6.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 109.354 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 35.2 m -130.14 175.78 10.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 109.336 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 2.2 pt20 -110.0 142.51 41.29 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.542 1.151 . . . . 0.0 110.289 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 178.25 147.39 0.16 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 109.566 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 1.1 tp -171.81 155.03 3.77 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 109.291 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 62.0 tttt -171.48 149.98 2.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.451 1.094 . . . . 0.0 109.316 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . 1.3 t-105 -179.64 139.23 0.14 Allowed 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 10.7 t -134.79 164.01 28.51 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 110.381 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 18.2 t0 -158.24 105.82 1.7 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 109.305 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 178.36 7.37 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.509 1.794 . . . . 0.0 111.016 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -123.37 169.17 11.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 109.99 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -164.21 94.56 0.12 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.445 1.091 . . . . 0.0 110.997 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 178.82 6.76 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.494 1.786 . . . . 0.0 110.973 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 11.5 t -148.09 171.78 15.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 109.989 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 88.2 p -140.72 171.01 14.69 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.538 1.149 . . . . 0.0 109.987 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.991 0 O-C-N 124.509 1.131 . . . . 0.0 111.01 -179.977 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.029 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.9 p -127.08 166.79 16.96 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 0.769 . . . . 0.0 110.02 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.1 m -167.55 166.89 13.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.554 1.158 . . . . 0.0 110.018 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -58.2 140.67 46.4 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.448 1.093 . . . . 0.0 111.034 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 47.2 t -66.82 90.61 0.18 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 0.749 . . . . 0.0 110.031 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.8 m -61.5 169.31 2.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 110.017 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 127.7 86.79 0.55 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.503 1.127 . . . . 0.0 110.978 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 4.3 pt -127.89 81.57 70.08 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.491 0.759 . . . . 0.0 109.31 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 169.78 21.86 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.45 1.763 . . . . 0.0 111.034 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -48.06 -82.71 0.03 OUTLIER Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.505 1.128 . . . . 0.0 111.003 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.03 164.13 33.92 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.568 1.826 . . . . 0.0 110.971 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -82.61 152.02 29.99 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.443 1.089 . . . . 0.0 110.941 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 6.2 t80 -101.43 120.15 39.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.57 0.806 . . . . 0.0 111.05 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 5.0 m -136.3 152.93 51.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 0.0 110.358 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -141.51 156.66 45.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.152 . . . . 0.0 109.283 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 39.69 92.48 0.01 OUTLIER Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.535 1.147 . . . . 0.0 111.04 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -126.36 85.77 2.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 0.754 . . . . 0.0 109.312 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -125.94 -174.59 3.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.112 . . . . 0.0 110.285 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -37.78 99.13 0.01 OUTLIER Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.519 1.137 . . . . 0.0 110.992 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.2 t -122.02 151.06 41.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.541 0.789 . . . . 0.0 110.037 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.875 ' SG ' ' SG ' ' A' ' 45' ' ' CYS . 70.7 m -126.86 49.2 2.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.46 1.1 . . . . 0.0 108.311 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 15.6 m -83.9 -51.37 7.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 0.0 110.008 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.416 HD23 ' C ' ' A' ' 23' ' ' LEU . 0.5 OUTLIER -112.52 30.76 6.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 109.331 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.716 ' HD2' ' HB3' ' A' ' 27' ' ' ALA . 0.4 OUTLIER -119.31 -92.58 0.53 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.522 1.139 . . . . 0.0 110.276 -179.964 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 62.2 m 59.61 40.21 20.41 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.104 . . . . 0.0 108.273 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 165.3 57.41 0.02 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.454 1.097 . . . . 0.0 111.043 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.716 ' HB3' ' HD2' ' A' ' 24' ' ' ARG . . . -156.2 167.22 31.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 0.777 . . . . 0.0 109.306 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 76.2 mt-30 -126.23 126.96 44.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 110.29 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -128.33 174.64 9.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 109.312 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -81.11 -46.95 6.77 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.485 1.116 . . . . 0.0 110.951 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 25.7 mt -65.96 -32.22 73.58 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.525 0.779 . . . . 0.0 109.287 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.414 ' HA ' ' O ' ' A' ' 43' ' ' THR . 24.9 p -166.76 -168.82 1.2 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 108.283 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 27.7 t -148.59 137.56 21.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.128 . . . . 0.0 110.009 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.423 ' N ' ' O ' ' A' ' 27' ' ' ALA . 13.7 m -100.21 4.21 44.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 108.291 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.513 ' CG ' ' HD2' ' A' ' 36' ' ' PRO . 0.4 OUTLIER -74.93 149.47 85.42 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 109.64 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.513 ' HD2' ' CG ' ' A' ' 35' ' ' HIS . 18.2 Cg_endo -75.05 -1.61 11.47 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.491 1.785 . . . . 0.0 110.993 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 38.1 p -99.93 -3.18 32.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 110.415 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.418 ' O ' ' N ' ' A' ' 42' ' ' GLY . 20.7 p -69.65 -20.72 63.58 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.593 1.183 . . . . 0.0 108.305 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 21.0 p -63.51 -41.87 98.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 110.018 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -73.94 -27.51 66.54 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.465 1.103 . . . . 0.0 110.993 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.408 ' N ' ' CD2' ' A' ' 41' ' ' LEU . 0.1 OUTLIER -83.9 -67.56 0.78 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.496 0.763 . . . . 0.0 109.297 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.418 ' N ' ' O ' ' A' ' 38' ' ' CYS . . . 117.72 39.63 0.76 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.508 1.13 . . . . 0.0 110.965 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.414 ' O ' ' HA ' ' A' ' 32' ' ' CYS . 20.2 p -119.14 -3.28 10.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 0.771 . . . . 0.0 110.374 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . 0.416 ' HB3' ' CD2' ' A' ' 48' ' ' PHE . 20.7 m -42.7 143.7 0.66 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 108.296 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . 0.875 ' SG ' ' SG ' ' A' ' 21' ' ' CYS . 1.9 m -72.51 160.63 31.97 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.553 1.158 . . . . 0.0 108.31 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -69.64 -23.2 63.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.45 1.094 . . . . 0.0 110.299 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -112.87 19.59 17.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.328 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.463 ' O ' ' N ' ' A' ' 52' ' ' CYS . 23.2 t80 -66.91 -48.09 69.76 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 111.024 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.586 HD23 ' O ' ' A' ' 52' ' ' CYS . 11.0 mt -73.52 -30.67 63.25 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.52 1.138 . . . . 0.0 109.287 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -58.73 -33.6 70.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 109.289 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.464 ' CB ' ' O ' ' A' ' 21' ' ' CYS . 37.2 m-85 -107.9 -17.88 13.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.451 1.094 . . . . 0.0 111.001 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . 0.586 ' O ' HD23 ' A' ' 49' ' ' LEU . 2.0 m -127.22 66.84 1.29 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.118 . . . . 0.0 108.308 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -107.03 29.85 6.7 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 0.0 109.279 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -177.88 38.96 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 110.31 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 6.0 pt -110.1 -24.83 3.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.537 1.148 . . . . 0.0 109.284 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.408 HD23 ' HA ' ' A' ' 56' ' ' LEU . 34.4 mt -47.77 156.25 0.71 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.115 . . . . 0.0 109.279 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 174.71 12.32 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.499 1.789 . . . . 0.0 111.01 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . 0.41 ' O ' ' N ' ' A' ' 60' ' ' GLY . 26.7 t -123.31 -57.82 1.65 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 109.985 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 68.65 -65.96 0.26 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.528 1.142 . . . . 0.0 109.986 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.41 ' N ' ' O ' ' A' ' 58' ' ' SER . . . 87.36 -78.77 1.82 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.501 1.126 . . . . 0.0 111.019 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 43.79 91.61 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.476 0.75 . . . . 0.0 110.023 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -76.67 101.11 5.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 111.014 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 54.74 96.81 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.546 1.154 . . . . 0.0 110.975 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -84.34 -100.99 0.6 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.484 1.115 . . . . 0.0 111.022 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -174.21 159.99 29.45 Favored Glycine 0 CA--C 1.53 0.972 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 3.6 tttt -170.44 148.03 3.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 0.758 . . . . 0.0 109.304 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.442 ' O ' ' CB ' ' A' ' 68' ' ' PHE . 0.6 OUTLIER -97.2 -64.06 1.08 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 109.29 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.442 ' CB ' ' O ' ' A' ' 67' ' ' ASP . 1.5 t80 71.57 -60.57 0.51 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 111.018 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 33.7 m -45.58 148.36 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 109.281 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 10.1 p -160.17 134.48 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.491 1.119 . . . . 0.0 109.281 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -150.14 -59.38 0.19 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.522 1.139 . . . . 0.0 110.337 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 -42.14 114.04 0.51 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.129 . . . . 0.0 109.575 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 1.3 tt -165.61 163.15 19.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 109.301 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.485 ' O ' ' CG ' ' A' ' 75' ' ' TRP . 22.1 tttt 65.61 137.52 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 0.0 109.279 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' TRP . . . . . 0.485 ' CG ' ' O ' ' A' ' 74' ' ' LYS . 11.9 m95 -170.43 162.4 8.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 107.959 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 17.0 m 60.58 156.44 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.468 1.105 . . . . 0.0 110.366 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -176.96 160.48 1.52 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 109.338 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 175.1 11.69 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.476 1.777 . . . . 0.0 111.0 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 3.6 m -158.53 -62.86 0.08 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.974 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 115.62 94.93 1.95 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.463 1.102 . . . . 0.0 111.036 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.92 176.17 10.24 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.476 1.777 . . . . 0.0 111.012 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 4.6 t -152.76 -179.8 7.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 109.984 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 82.1 p -150.12 170.48 18.82 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.446 1.091 . . . . 0.0 109.99 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.982 0 O-C-N 124.533 1.145 . . . . 0.0 111.007 -179.99 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.991 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 25.6 p -171.23 166.86 7.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 0.78 . . . . 0.0 109.94 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -155.8 152.88 28.98 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.447 1.092 . . . . 0.0 109.983 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 153.54 -80.4 0.19 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.482 1.114 . . . . 0.0 110.988 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 53.58 103.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 0.781 . . . . 0.0 110.01 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 25.6 p -123.79 108.47 12.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.586 1.179 . . . . 0.0 110.031 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -81.82 -126.16 0.85 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.488 1.118 . . . . 0.0 111.036 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 2.5 pt -128.43 156.15 77.47 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.474 0.749 . . . . 0.0 109.299 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 77.78 3.04 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.465 1.771 . . . . 0.0 111.034 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -126.21 -85.34 0.56 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.517 1.136 . . . . 0.0 110.981 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 148.92 36.12 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.508 1.794 . . . . 0.0 110.971 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -144.76 121.79 1.63 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.512 1.133 . . . . 0.0 111.02 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 28.0 p90 -146.79 157.43 43.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 0.756 . . . . 0.0 110.982 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 16.9 m 60.97 143.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 110.368 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -151.89 172.19 16.59 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.52 1.138 . . . . 0.0 109.292 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -81.09 -136.32 1.87 Allowed Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.508 1.13 . . . . 0.0 111.02 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -139.02 121.34 15.97 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.56 0.8 . . . . 0.0 109.319 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -178.98 172.05 1.32 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.135 . . . . 0.0 110.347 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -177.3 67.77 0.08 OUTLIER Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.463 1.102 . . . . 0.0 111.002 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 4.2 t -111.3 151.13 28.72 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 0.763 . . . . 0.0 109.993 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.791 ' SG ' ' SG ' ' A' ' 45' ' ' CYS . 72.5 m -126.52 45.6 2.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 108.334 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.499 ' HA ' ' CG ' ' A' ' 51' ' ' TYR . 43.7 p -81.44 -51.68 8.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 110.011 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -109.22 32.53 4.89 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 109.302 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.719 ' HD2' ' HB3' ' A' ' 27' ' ' ALA . 0.3 OUTLIER -124.45 -93.8 0.5 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.101 . . . . 0.0 110.298 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 47.0 m 59.42 40.16 21.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 108.305 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.412 ' N ' ' O ' ' A' ' 34' ' ' CYS . . . 165.36 56.04 0.02 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.531 1.144 . . . . 0.0 111.007 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.719 ' HB3' ' HD2' ' A' ' 24' ' ' ARG . . . -154.62 167.76 29.04 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.509 0.77 . . . . 0.0 109.308 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -126.31 126.93 44.75 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.562 1.164 . . . . 0.0 110.315 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -128.4 177.08 7.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.311 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -83.88 -55.31 2.84 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.53 1.144 . . . . 0.0 110.978 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -58.88 -41.57 87.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 0.753 . . . . 0.0 109.299 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.45 ' SG ' ' N ' ' A' ' 33' ' ' SER . 1.1 p -150.13 -161.72 1.4 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 108.319 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.45 ' N ' ' SG ' ' A' ' 32' ' ' CYS . 9.2 t -160.78 137.99 9.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.155 . . . . 0.0 110.017 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.412 ' O ' ' N ' ' A' ' 26' ' ' GLY . 10.3 m -103.4 25.28 9.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 108.329 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.524 ' CG ' ' HD2' ' A' ' 36' ' ' PRO . 0.1 OUTLIER -101.54 152.78 38.11 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 109.65 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.524 ' HD2' ' CG ' ' A' ' 35' ' ' HIS . 18.3 Cg_endo -75.0 -0.96 10.61 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.555 1.818 . . . . 0.0 111.002 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.764 ' O ' HD12 ' A' ' 41' ' ' LEU . 4.4 p -102.21 6.06 40.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 110.391 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.435 ' O ' ' N ' ' A' ' 42' ' ' GLY . 19.3 p -68.12 -20.49 64.92 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.469 1.105 . . . . 0.0 108.317 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -70.07 -44.01 70.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 109.957 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -70.2 -32.17 68.98 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.47 1.106 . . . . 0.0 110.979 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.764 HD12 ' O ' ' A' ' 37' ' ' THR . 1.3 mt -84.67 -63.75 1.28 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.542 0.789 . . . . 0.0 109.291 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.435 ' N ' ' O ' ' A' ' 38' ' ' CYS . . . 115.05 37.65 1.11 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.544 1.153 . . . . 0.0 111.017 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.443 ' O ' ' N ' ' A' ' 33' ' ' SER . 61.5 p -123.42 27.28 7.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 0.784 . . . . 0.0 110.343 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 37.0 m -65.99 145.96 55.26 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 108.27 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . 0.791 ' SG ' ' SG ' ' A' ' 21' ' ' CYS . 0.0 OUTLIER -88.49 151.36 22.58 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.456 1.097 . . . . 0.0 108.309 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -67.47 -18.48 65.08 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.476 1.11 . . . . 0.0 110.328 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 27.9 p30 -112.98 17.65 18.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 109.278 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.721 ' CZ ' HD11 ' A' ' 55' ' ' ILE . 14.1 t80 -68.99 -48.51 62.93 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.123 . . . . 0.0 111.013 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.693 ' N ' HD13 ' A' ' 49' ' ' LEU . 0.0 OUTLIER -73.96 -30.47 62.54 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 109.321 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -58.05 -37.03 73.63 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 1.135 . . . . 0.0 109.319 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.5 ' CB ' ' O ' ' A' ' 21' ' ' CYS . 36.3 m-85 -106.01 -16.82 14.52 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 111.012 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . 0.55 ' HB3' HD13 ' A' ' 55' ' ' ILE . 0.3 OUTLIER -132.98 67.4 1.53 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.558 1.161 . . . . 0.0 108.304 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.41 ' CB ' ' O ' ' A' ' 49' ' ' LEU . 0.5 OUTLIER -98.27 30.68 3.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 109.289 -179.976 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -177.76 40.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.564 1.165 . . . . 0.0 110.304 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.721 HD11 ' CZ ' ' A' ' 48' ' ' PHE . 10.8 pt -112.66 -31.4 2.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.302 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 8.3 mt -51.87 159.49 1.36 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.283 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 154.85 42.73 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.511 1.795 . . . . 0.0 111.004 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -168.81 83.35 0.15 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.11 . . . . 0.0 109.969 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -134.03 157.91 44.88 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.531 1.144 . . . . 0.0 109.985 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 131.53 -166.72 22.85 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.496 1.123 . . . . 0.0 111.025 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -141.01 116.3 10.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 0.77 . . . . 0.0 109.992 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 1.7 mtm -120.6 122.55 40.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 111.024 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 2.4 ptt? -117.47 168.85 10.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 111.032 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -40.36 -79.45 0.05 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.481 1.113 . . . . 0.0 110.965 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 156.0 122.96 0.79 Allowed Glycine 0 CA--C 1.53 1.021 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 3.6 mttt -122.09 83.96 2.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.541 0.789 . . . . 0.0 109.301 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 13.9 t0 -123.74 118.17 26.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.125 . . . . 0.0 109.313 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 30.9 m-85 -76.02 103.23 5.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 110.986 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 35.7 m -89.66 150.51 3.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 109.281 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 12.9 m -120.6 150.16 23.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.445 1.091 . . . . 0.0 109.349 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 4.9 tt0 -128.32 93.8 3.74 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.542 1.151 . . . . 0.0 110.267 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -63.73 167.01 6.33 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.45 1.094 . . . . 0.0 109.58 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -129.91 140.18 51.0 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.521 1.138 . . . . 0.0 109.31 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.66 160.16 25.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.309 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -130.7 161.66 31.16 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 107.956 -1.127 . . . . 0.0 107.956 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 64.4 p -137.24 175.37 9.67 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.113 . . . . 0.0 110.463 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -139.3 145.78 45.91 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 0.0 109.274 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 -178.52 4.23 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.456 1.766 . . . . 0.0 111.015 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 35.6 m -150.92 169.16 22.41 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.449 1.093 . . . . 0.0 110.008 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -128.81 158.61 21.94 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.507 1.129 . . . . 0.0 111.006 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -173.0 1.41 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.49 1.784 . . . . 0.0 111.048 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 1.9 t -148.89 160.89 42.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.154 . . . . 0.0 109.997 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -83.98 164.62 19.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.974 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 O-C-N 124.516 1.135 . . . . 0.0 110.957 179.964 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 35.1 m -117.57 152.54 34.92 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 0.752 . . . . 0.0 110.006 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -174.64 124.12 0.28 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.573 1.171 . . . . 0.0 109.986 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -143.33 -162.29 9.26 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.498 1.123 . . . . 0.0 111.028 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.1 t -118.4 153.75 33.55 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.533 0.784 . . . . 0.0 110.02 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 178.1 152.87 0.3 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.458 1.099 . . . . 0.0 110.021 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -81.88 127.26 7.84 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.559 1.162 . . . . 0.0 110.981 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.519 ' N ' ' CD ' ' A' ' 9' ' ' PRO . 0.8 OUTLIER -70.01 -51.89 13.81 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.524 0.779 . . . . 0.0 109.318 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.519 ' CD ' ' N ' ' A' ' 8' ' ' ILE . 18.2 Cg_endo -75.02 142.21 27.52 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.524 1.802 . . . . 0.0 110.964 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -109.91 158.12 14.67 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.539 1.149 . . . . 0.0 111.005 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 56.88 4.35 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.445 1.76 . . . . 0.0 111.014 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -73.77 148.36 39.85 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.535 1.147 . . . . 0.0 111.014 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 55.5 t80 -46.4 -49.4 18.04 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.562 0.801 . . . . 0.0 111.024 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 15.5 m -156.88 -59.76 0.09 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 110.37 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -159.95 -60.51 0.06 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.153 . . . . 0.0 109.271 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 85.93 -163.37 36.38 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.47 1.107 . . . . 0.0 111.033 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -127.54 136.96 52.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 0.78 . . . . 0.0 109.305 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -171.52 -61.98 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.103 . . . . 0.0 110.31 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -66.11 75.84 0.12 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.451 1.094 . . . . 0.0 110.986 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.3 t -128.07 150.87 49.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 0.748 . . . . 0.0 109.991 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.77 ' SG ' ' SG ' ' A' ' 45' ' ' CYS . 57.0 m -124.09 58.11 1.19 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.538 1.149 . . . . 0.0 108.323 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 4.9 t -65.71 -64.77 0.78 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.458 1.099 . . . . 0.0 109.961 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.427 HD23 ' N ' ' A' ' 24' ' ' ARG . 0.4 OUTLIER -116.89 -4.04 11.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 0.0 109.346 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.679 ' HD2' ' HB3' ' A' ' 27' ' ' ALA . 0.4 OUTLIER -60.82 -92.08 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 110.285 -179.954 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 56.9 m 59.76 40.04 20.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.099 . . . . 0.0 108.3 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.415 ' N ' ' O ' ' A' ' 34' ' ' CYS . . . 168.1 55.8 0.03 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.448 1.093 . . . . 0.0 110.976 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.679 ' HB3' ' HD2' ' A' ' 24' ' ' ARG . . . -156.2 166.79 32.42 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.484 0.755 . . . . 0.0 109.262 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -126.31 126.94 44.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 110.315 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -128.2 173.57 10.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 109.316 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -78.12 -55.99 3.89 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.508 1.13 . . . . 0.0 110.999 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.507 HD22 ' H ' ' A' ' 31' ' ' LEU . 3.0 mm? -58.6 -47.13 85.37 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 0.77 . . . . 0.0 109.311 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.407 ' HA ' ' O ' ' A' ' 43' ' ' THR . 0.8 OUTLIER -146.03 -168.25 2.94 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.155 . . . . 0.0 108.347 179.978 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.436 ' N ' ' O ' ' A' ' 43' ' ' THR . 22.3 t -154.04 140.98 19.25 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.48 1.112 . . . . 0.0 110.024 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.423 ' N ' ' O ' ' A' ' 27' ' ' ALA . 20.7 m -104.88 27.39 8.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.152 . . . . 0.0 108.269 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.514 ' CG ' ' HD2' ' A' ' 36' ' ' PRO . 0.2 OUTLIER -107.53 150.74 40.49 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.585 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.514 ' HD2' ' CG ' ' A' ' 35' ' ' HIS . 18.1 Cg_endo -75.07 0.14 9.29 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.485 1.781 . . . . 0.0 111.028 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.537 ' O ' HD12 ' A' ' 41' ' ' LEU . 30.4 p -95.17 -7.2 39.86 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.552 1.158 . . . . 0.0 110.413 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.449 ' O ' ' N ' ' A' ' 42' ' ' GLY . 19.7 p -63.98 -20.21 65.72 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.522 1.138 . . . . 0.0 108.306 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 85.6 p -67.22 -41.5 85.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.14 . . . . 0.0 110.002 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -76.05 -33.63 49.46 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.445 1.091 . . . . 0.0 110.965 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.537 HD12 ' O ' ' A' ' 37' ' ' THR . 1.0 OUTLIER -82.65 -68.39 0.71 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 0.749 . . . . 0.0 109.293 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 38' ' ' CYS . . . 120.76 42.05 0.5 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.472 1.108 . . . . 0.0 110.981 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.436 ' O ' ' N ' ' A' ' 33' ' ' SER . 75.4 p -124.21 24.02 8.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 0.771 . . . . 0.0 110.409 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 55.8 m -64.73 147.36 53.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 108.318 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . 0.77 ' SG ' ' SG ' ' A' ' 21' ' ' CYS . 0.0 OUTLIER -87.08 161.56 18.07 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.503 1.127 . . . . 0.0 108.312 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -73.52 -26.93 61.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 110.324 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -109.58 16.39 22.23 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.51 1.131 . . . . 0.0 109.339 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.458 ' O ' ' N ' ' A' ' 52' ' ' CYS . 18.6 t80 -68.89 -48.07 64.27 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.533 1.146 . . . . 0.0 111.026 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.452 ' O ' ' CB ' ' A' ' 53' ' ' LEU . 6.5 mt -73.56 -33.81 64.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.123 . . . . 0.0 109.301 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -58.79 -38.95 79.68 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.121 . . . . 0.0 109.313 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.414 ' CB ' ' O ' ' A' ' 21' ' ' CYS . 4.8 m-85 -98.1 -20.79 17.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 0.0 111.024 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . 0.458 ' N ' ' O ' ' A' ' 48' ' ' PHE . 1.8 m -126.22 64.29 1.24 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.549 1.155 . . . . 0.0 108.307 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.452 ' CB ' ' O ' ' A' ' 49' ' ' LEU . 0.3 OUTLIER -103.03 30.88 4.53 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 109.281 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -176.76 37.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 110.328 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 6.1 pt -110.24 -26.23 3.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 0.0 109.312 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.9 mt -46.97 155.03 0.66 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.46 1.1 . . . . 0.0 109.302 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.94 -176.75 3.02 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.469 1.773 . . . . 0.0 111.051 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 26.0 t -178.11 -55.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 110.043 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 30.2 t 39.54 76.95 0.06 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.517 1.135 . . . . 0.0 110.004 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 147.13 -139.94 8.25 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.565 1.166 . . . . 0.0 111.001 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -112.54 -57.7 2.24 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.45 0.735 . . . . 0.0 109.991 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 62.18 108.03 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.472 1.107 . . . . 0.0 110.984 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 2.1 ttt -75.03 -55.26 5.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 110.985 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 108.33 -163.84 12.79 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.539 1.149 . . . . 0.0 111.033 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -133.36 -179.72 16.61 Favored Glycine 0 CA--C 1.53 1.011 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 15.3 mtpt -99.37 177.48 5.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 0.786 . . . . 0.0 109.265 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -163.23 163.56 25.41 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.502 1.126 . . . . 0.0 109.267 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -150.97 158.22 43.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 110.973 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 26.8 m -136.82 166.48 25.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.332 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 35.7 m -121.73 174.15 6.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.482 1.114 . . . . 0.0 109.29 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -88.21 146.12 25.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.096 . . . . 0.0 110.305 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 2.8 t-80 -118.87 166.18 13.14 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.494 1.121 . . . . 0.0 109.633 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -99.58 174.25 6.34 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.104 . . . . 0.0 109.288 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.28 159.23 18.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 0.0 109.327 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -159.14 143.7 15.54 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.124 . . . . 0.0 107.994 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 67.7 p -94.76 152.94 18.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 110.454 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 10.6 p-10 -136.56 98.23 11.14 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 109.291 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 150.21 38.15 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.503 1.791 . . . . 0.0 111.015 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 94.7 p -94.15 155.77 16.9 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.49 1.118 . . . . 0.0 110.024 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -92.79 157.22 23.47 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.55 1.156 . . . . 0.0 111.044 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 84.6 1.62 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.517 1.798 . . . . 0.0 111.006 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 43.3 t -119.09 158.73 25.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 110.018 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 20.5 m -67.92 83.82 0.21 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.145 . . . . 0.0 110.002 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.02 0 O-C-N 124.493 1.12 . . . . 0.0 110.998 179.984 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 66.7 p -172.81 169.69 4.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 0.759 . . . . 0.0 109.996 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.6 t 66.21 148.84 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.555 1.159 . . . . 0.0 109.999 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 146.92 92.07 0.11 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.512 1.133 . . . . 0.0 111.005 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 64.0 129.56 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.452 0.736 . . . . 0.0 110.011 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -78.02 81.61 4.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 110.03 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 42.71 -113.08 0.56 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.442 1.089 . . . . 0.0 110.985 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.421 HG23 ' O ' ' A' ' 8' ' ' ILE . 4.6 tp -146.51 91.9 5.26 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.51 0.77 . . . . 0.0 109.317 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 114.9 4.13 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.495 1.787 . . . . 0.0 110.982 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -37.22 98.11 0.01 OUTLIER Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.531 1.144 . . . . 0.0 111.01 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 159.57 40.95 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.454 1.765 . . . . 0.0 110.985 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -49.05 129.68 23.36 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.52 1.138 . . . . 0.0 110.991 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 38.0 p90 -137.75 141.5 40.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 0.784 . . . . 0.0 111.015 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 9.0 t -71.81 151.65 43.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.436 1.085 . . . . 0.0 110.363 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -82.25 142.68 31.92 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.523 1.139 . . . . 0.0 109.311 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -123.45 135.31 9.82 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.521 1.138 . . . . 0.0 110.968 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -80.96 159.08 24.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 0.785 . . . . 0.0 109.314 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 68.9 172.42 0.29 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.147 . . . . 0.0 110.292 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -177.51 62.74 0.09 OUTLIER Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.52 1.137 . . . . 0.0 111.039 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -117.6 150.37 39.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.449 0.734 . . . . 0.0 109.969 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.776 ' SG ' ' SG ' ' A' ' 45' ' ' CYS . 61.9 m -123.9 54.78 1.3 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.142 . . . . 0.0 108.325 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 38.8 t -64.8 -62.87 1.3 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.148 . . . . 0.0 110.007 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.565 HD12 ' N ' ' A' ' 24' ' ' ARG . 3.9 pp -110.6 -23.0 11.34 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 0.0 109.273 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.729 ' HD2' ' HB3' ' A' ' 27' ' ' ALA . 0.3 OUTLIER -44.17 -94.32 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.146 . . . . 0.0 110.344 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 33.5 m 59.22 40.12 21.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 108.291 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.434 ' N ' ' O ' ' A' ' 34' ' ' CYS . . . 166.39 54.76 0.03 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.527 1.142 . . . . 0.0 110.967 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.729 ' HB3' ' HD2' ' A' ' 24' ' ' ARG . . . -154.03 165.73 35.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 0.744 . . . . 0.0 109.296 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 31.9 mt-30 -126.14 126.99 45.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.441 1.088 . . . . 0.0 110.344 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -128.33 176.52 7.63 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.289 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -83.1 -51.33 4.22 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.441 1.088 . . . . 0.0 111.01 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.4 -38.46 89.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 0.756 . . . . 0.0 109.317 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.433 ' SG ' ' N ' ' A' ' 33' ' ' SER . 1.1 p -154.27 -161.99 1.33 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.109 . . . . 0.0 108.345 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.435 ' N ' ' O ' ' A' ' 43' ' ' THR . 27.5 t -161.19 137.37 8.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 109.99 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.446 ' N ' ' O ' ' A' ' 27' ' ' ALA . 19.2 m -102.6 28.62 5.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.551 1.157 . . . . 0.0 108.299 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.521 ' CG ' ' HD2' ' A' ' 36' ' ' PRO . 0.1 OUTLIER -109.78 152.68 43.06 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.125 . . . . 0.0 109.56 -179.969 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.521 ' HD2' ' CG ' ' A' ' 35' ' ' HIS . 18.3 Cg_endo -74.95 -3.34 13.77 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.505 1.792 . . . . 0.0 111.024 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.671 ' O ' HD12 ' A' ' 41' ' ' LEU . 30.9 p -93.07 0.75 57.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 0.0 110.36 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.439 ' O ' ' N ' ' A' ' 42' ' ' GLY . 22.2 p -74.42 -13.7 60.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 108.287 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 6.3 t -70.88 -42.28 70.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.144 . . . . 0.0 109.988 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -75.96 -34.07 48.63 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.513 1.133 . . . . 0.0 111.013 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.671 HD12 ' O ' ' A' ' 37' ' ' THR . 1.6 mt -82.31 -59.82 2.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 0.776 . . . . 0.0 109.315 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.439 ' N ' ' O ' ' A' ' 38' ' ' CYS . . . 110.79 32.54 2.64 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.504 1.128 . . . . 0.0 111.022 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.435 ' O ' ' N ' ' A' ' 33' ' ' SER . 47.0 p -110.64 21.21 16.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 0.768 . . . . 0.0 110.365 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 39.5 m -63.69 146.65 53.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 108.27 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . 0.776 ' SG ' ' SG ' ' A' ' 21' ' ' CYS . 0.4 OUTLIER -84.41 167.76 16.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.107 . . . . 0.0 108.253 -179.962 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -77.54 -25.59 50.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 110.325 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.6 p30 -112.9 15.05 19.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.266 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.466 ' O ' ' N ' ' A' ' 52' ' ' CYS . 13.4 t80 -69.1 -48.2 63.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 110.977 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.495 ' O ' ' CB ' ' A' ' 53' ' ' LEU . 10.0 mt -73.68 -35.82 65.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 109.336 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.442 ' HA ' HD12 ' A' ' 53' ' ' LEU . 0.3 OUTLIER -58.76 -40.76 84.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 109.362 179.964 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -94.06 -22.87 18.24 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 110.985 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . 0.506 ' HB3' HG21 ' A' ' 55' ' ' ILE . 1.0 OUTLIER -128.52 64.72 1.42 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 108.275 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.495 ' CB ' ' O ' ' A' ' 49' ' ' LEU . 0.2 OUTLIER -97.45 12.83 31.93 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.452 1.095 . . . . 0.0 109.298 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -163.34 45.79 0.12 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.463 1.102 . . . . 0.0 110.306 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.506 HG21 ' HB3' ' A' ' 52' ' ' CYS . 6.8 pt -111.73 -31.43 2.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.532 1.145 . . . . 0.0 109.31 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.418 ' C ' ' O ' ' A' ' 55' ' ' ILE . 1.2 mp -38.84 99.34 0.19 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.13 . . . . 0.0 109.316 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.425 ' N ' ' O ' ' A' ' 55' ' ' ILE . 18.3 Cg_endo -74.96 68.7 5.68 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.457 1.767 . . . . 0.0 111.004 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 61.4 p -124.61 -63.48 1.18 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.128 . . . . 0.0 110.004 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.2 t -59.64 118.55 6.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 109.958 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -112.08 -170.68 18.52 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.482 1.114 . . . . 0.0 110.994 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -46.79 133.3 10.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.555 0.797 . . . . 0.0 110.02 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -91.28 150.36 21.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.455 1.097 . . . . 0.0 111.009 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -88.03 159.08 18.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.445 1.09 . . . . 0.0 111.011 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 134.04 -109.58 0.81 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.577 1.173 . . . . 0.0 110.997 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -97.99 67.22 0.76 Allowed Glycine 0 CA--C 1.53 0.995 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 17.0 mttt -161.19 124.07 3.18 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.548 0.793 . . . . 0.0 109.321 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 26.7 t0 -117.96 96.39 5.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.557 1.161 . . . . 0.0 109.285 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -102.06 113.23 26.29 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.506 1.129 . . . . 0.0 111.044 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 33.0 m -123.63 168.15 16.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.51 1.131 . . . . 0.0 109.28 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 6.0 p -162.03 153.57 3.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.115 . . . . 0.0 109.299 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 5.6 pt20 -161.42 150.08 15.88 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.491 1.119 . . . . 0.0 110.303 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 2.5 t-80 -155.77 171.11 20.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 0.0 109.554 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -173.74 149.71 1.62 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 109.361 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 1.5 tttt -162.83 142.93 9.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.277 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . 9.3 m95 -159.08 146.16 17.21 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.533 1.146 . . . . 0.0 108.003 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 12.8 t -156.17 167.67 29.69 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 110.362 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -173.2 99.88 0.33 Allowed Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.115 . . . . 0.0 109.291 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.01 174.1 13.37 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.52 1.8 . . . . 0.0 111.049 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -152.54 170.86 19.14 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.474 1.109 . . . . 0.0 109.986 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 172.14 96.43 0.1 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.471 1.107 . . . . 0.0 110.981 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -179.91 5.44 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.551 1.816 . . . . 0.0 111.005 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 8.3 m -133.48 -53.66 0.89 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 110.016 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 13.0 t 60.26 159.22 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 0.0 109.986 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.976 0 O-C-N 124.535 1.147 . . . . 0.0 111.02 -179.981 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.967 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.1 t 62.33 146.05 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 0.752 . . . . 0.0 109.986 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 37.0 m -154.14 -59.36 0.12 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 0.0 109.975 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 66.65 -126.88 27.91 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.508 1.13 . . . . 0.0 111.026 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 55.67 98.73 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 0.76 . . . . 0.0 109.982 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 87.9 p -173.05 121.74 0.38 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.113 . . . . 0.0 110.046 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -169.59 90.64 0.1 OUTLIER Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.532 1.145 . . . . 0.0 111.007 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 7.1 mt -129.18 89.19 48.89 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.477 0.751 . . . . 0.0 109.287 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -45.38 0.28 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.486 1.782 . . . . 0.0 111.005 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 55.11 88.72 0.01 OUTLIER Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.498 1.124 . . . . 0.0 110.994 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 73.58 4.25 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.538 1.81 . . . . 0.0 111.037 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 167.35 77.69 0.04 OUTLIER Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.508 1.13 . . . . 0.0 111.016 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -98.3 133.7 42.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 0.772 . . . . 0.0 111.018 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 81.5 p -120.94 60.91 0.9 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 110.404 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . 60.17 160.93 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 0.0 109.287 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -53.52 174.14 0.42 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.497 1.123 . . . . 0.0 111.015 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -150.48 -65.82 0.2 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 0.739 . . . . 0.0 109.278 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.552 ' HG3' HD12 ' A' ' 31' ' ' LEU . 1.0 OUTLIER -135.25 -174.77 3.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 110.332 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 102.68 52.2 0.98 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.524 1.14 . . . . 0.0 111.008 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.1 m -128.14 137.38 52.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 0.746 . . . . 0.0 109.979 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 20.4 m -94.76 73.43 3.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 108.346 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.5 -36.52 76.57 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.458 1.099 . . . . 0.0 109.964 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.897 HD22 ' O ' ' A' ' 23' ' ' LEU . 0.0 OUTLIER -167.94 32.13 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 0.0 109.303 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 17.0 mmm180 -90.71 -70.71 0.66 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 110.277 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 95.3 m 58.71 21.42 8.85 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 108.322 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 177.49 74.17 0.06 OUTLIER Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.447 1.092 . . . . 0.0 111.006 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -160.21 153.43 21.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.456 0.739 . . . . 0.0 109.351 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 28.7 mt-30 -120.57 126.82 51.28 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.132 . . . . 0.0 110.267 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -128.29 178.03 6.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 109.28 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -87.32 -29.18 22.92 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.482 1.114 . . . . 0.0 110.992 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.552 HD12 ' HG3' ' A' ' 18' ' ' GLN . 12.0 mt -86.39 -41.04 14.81 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.471 0.748 . . . . 0.0 109.27 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.401 ' HA ' ' O ' ' A' ' 43' ' ' THR . 0.6 OUTLIER -154.72 -176.95 6.16 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.512 1.132 . . . . 0.0 108.318 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.448 ' N ' ' O ' ' A' ' 43' ' ' THR . 25.9 t -152.02 136.43 16.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 110.044 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.439 ' HA ' ' CD1' ' A' ' 48' ' ' PHE . 23.1 m -97.42 10.52 39.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.458 1.099 . . . . 0.0 108.345 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.525 ' CG ' ' HD2' ' A' ' 36' ' ' PRO . 0.7 OUTLIER -83.9 147.99 52.9 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.125 . . . . 0.0 109.628 179.988 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.525 ' HD2' ' CG ' ' A' ' 35' ' ' HIS . 18.4 Cg_endo -74.93 -5.54 16.93 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.484 1.781 . . . . 0.0 111.052 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 82.2 p -93.77 -4.07 50.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.143 . . . . 0.0 110.407 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.442 ' O ' ' N ' ' A' ' 42' ' ' GLY . 20.7 p -68.23 -17.85 64.41 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.515 1.135 . . . . 0.0 108.317 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 7.7 t -66.33 -44.39 83.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 110.027 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -76.18 -27.99 61.01 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.56 1.162 . . . . 0.0 111.025 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 11.5 mt -82.88 -65.22 1.04 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 0.754 . . . . 0.0 109.288 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.442 ' N ' ' O ' ' A' ' 38' ' ' CYS . . . 116.66 40.34 0.79 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.536 1.148 . . . . 0.0 110.976 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.448 ' O ' ' N ' ' A' ' 33' ' ' SER . 72.8 p -125.41 19.81 8.08 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.511 0.771 . . . . 0.0 110.388 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 60.5 m -63.09 148.74 47.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.146 . . . . 0.0 108.288 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -84.77 164.92 18.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 108.273 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -80.72 -22.58 40.15 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.577 1.173 . . . . 0.0 110.299 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -113.06 12.96 19.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 109.302 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.439 ' CD1' ' HA ' ' A' ' 34' ' ' CYS . 11.1 t80 -67.75 -48.41 66.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 110.983 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.471 ' O ' ' CG ' ' A' ' 53' ' ' LEU . 10.6 mt -73.89 -34.26 64.35 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 109.3 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -62.13 -30.4 71.01 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.464 1.103 . . . . 0.0 109.343 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 6.5 m-85 -100.54 -29.35 12.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 111.039 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . 0.475 ' HB3' ' CG2' ' A' ' 55' ' ' ILE . 4.8 m -127.17 71.15 1.31 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 108.263 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.471 ' CG ' ' O ' ' A' ' 49' ' ' LEU . 0.2 OUTLIER -102.31 32.57 3.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.143 . . . . 0.0 109.311 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -172.41 37.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 110.283 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.475 ' CG2' ' HB3' ' A' ' 52' ' ' CYS . 6.9 pt -111.96 -31.13 2.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 109.308 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.2 mt -49.15 155.44 1.16 Allowed Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.536 1.148 . . . . 0.0 109.319 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 80.91 2.31 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.511 1.795 . . . . 0.0 111.039 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 97.2 p -82.97 94.8 7.82 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.499 1.125 . . . . 0.0 110.005 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.2 m -107.32 -61.45 1.55 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.988 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -172.81 -107.45 0.2 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.458 1.099 . . . . 0.0 111.033 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -131.59 131.64 43.44 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 0.763 . . . . 0.0 110.009 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -109.99 87.23 2.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 111.019 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 4.3 tpt -71.75 142.81 49.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.127 . . . . 0.0 110.994 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -119.96 150.05 17.67 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.476 1.11 . . . . 0.0 110.984 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -146.48 148.04 19.42 Favored Glycine 0 CA--C 1.53 1.003 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -144.15 158.07 43.93 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.471 0.747 . . . . 0.0 109.289 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 18.5 t0 -125.12 151.42 45.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 109.277 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -141.29 160.02 40.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.442 1.089 . . . . 0.0 110.987 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 6.4 p -157.05 149.45 10.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.525 1.141 . . . . 0.0 109.297 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 10.7 p -155.28 153.85 7.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.548 1.155 . . . . 0.0 109.268 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 11.0 pt20 -170.85 168.94 7.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.446 1.091 . . . . 0.0 110.286 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 36.1 t-80 -176.79 152.58 0.98 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.55 1.157 . . . . 0.0 109.559 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 4.4 pp -171.76 174.86 4.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.33 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 47.4 tttt -172.69 138.3 0.84 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 109.329 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . 52.2 t-105 178.66 131.57 0.07 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.511 1.132 . . . . 0.0 108.024 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 21.8 p -133.77 164.1 27.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 0.0 110.423 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.4 t70 177.0 95.54 0.12 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.332 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 162.41 37.14 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.458 1.767 . . . . 0.0 111.008 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.9 t -177.3 151.78 0.81 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.513 1.133 . . . . 0.0 110.015 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 175.42 96.96 0.1 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.55 1.157 . . . . 0.0 110.974 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -178.67 4.33 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.485 1.782 . . . . 0.0 111.001 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 42.8 t -158.08 156.41 30.97 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 110.02 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 177.93 169.74 0.71 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 110.01 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.973 0 O-C-N 124.543 1.152 . . . . 0.0 111.0 -179.973 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.951 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -168.72 168.46 10.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 0.759 . . . . 0.0 109.993 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -169.04 170.6 8.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.542 1.151 . . . . 0.0 109.994 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -170.51 157.0 27.91 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.527 1.142 . . . . 0.0 110.996 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.8 p -168.5 149.67 4.85 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.561 0.801 . . . . 0.0 110.014 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.2 p 179.02 150.61 0.29 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.476 1.11 . . . . 0.0 110.036 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 152.18 132.48 1.83 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.488 1.118 . . . . 0.0 111.005 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 3.5 mp -142.55 88.89 8.53 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.506 0.768 . . . . 0.0 109.281 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 177.28 8.81 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.455 1.766 . . . . 0.0 111.018 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -157.82 158.13 28.81 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.495 1.122 . . . . 0.0 110.986 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 178.56 7.11 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.529 1.805 . . . . 0.0 110.964 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 162.58 115.04 0.33 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.556 1.16 . . . . 0.0 111.0 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 11.3 t80 -150.31 171.01 17.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.425 0.721 . . . . 0.0 111.03 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.41 ' O ' ' HB3' ' A' ' 15' ' ' ALA . 12.5 t -168.44 -44.1 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.44 1.088 . . . . 0.0 110.415 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.41 ' HB3' ' O ' ' A' ' 14' ' ' THR . . . 67.03 164.72 0.21 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.546 1.154 . . . . 0.0 109.302 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 135.96 -165.04 24.96 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.516 1.135 . . . . 0.0 110.999 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -72.41 107.96 5.26 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.46 0.741 . . . . 0.0 109.301 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 1.3 pt20 -160.7 -174.55 4.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 110.26 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 112.35 54.33 0.48 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.462 1.101 . . . . 0.0 110.968 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 68.2 m -125.66 151.02 47.11 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 0.78 . . . . 0.0 110.03 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.911 ' SG ' ' SG ' ' A' ' 45' ' ' CYS . 79.0 m -128.51 40.57 3.63 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 108.276 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.541 ' HA ' ' CD1' ' A' ' 51' ' ' TYR . 1.1 p -73.22 -53.59 10.54 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.454 1.096 . . . . 0.0 109.977 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -111.21 42.3 1.68 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.472 1.107 . . . . 0.0 109.264 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.771 ' HD2' ' HB3' ' A' ' 27' ' ' ALA . 1.0 OUTLIER -132.02 -93.89 0.37 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 110.328 179.953 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 54.2 m 59.19 40.09 22.04 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.45 1.094 . . . . 0.0 108.266 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 165.78 55.45 0.03 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.504 1.128 . . . . 0.0 111.027 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.771 ' HB3' ' HD2' ' A' ' 24' ' ' ARG . . . -156.42 165.21 36.98 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 0.753 . . . . 0.0 109.307 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 98.2 mt-30 -126.19 126.98 44.98 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.535 1.147 . . . . 0.0 110.375 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -128.42 177.58 6.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.15 . . . . 0.0 109.313 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -81.53 -56.38 2.98 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.513 1.133 . . . . 0.0 111.026 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.3 mp -58.6 -47.05 85.64 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 0.754 . . . . 0.0 109.312 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -145.88 -174.39 4.41 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.53 1.144 . . . . 0.0 108.286 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.46 ' N ' ' O ' ' A' ' 43' ' ' THR . 10.5 t -149.13 137.56 20.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.987 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.435 ' N ' ' O ' ' A' ' 27' ' ' ALA . 12.8 m -102.42 22.56 13.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 108.284 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.524 ' CG ' ' HD2' ' A' ' 36' ' ' PRO . 0.1 OUTLIER -99.18 153.31 37.85 Favored Pre-proline 0 C--N 1.324 -0.524 0 O-C-N 124.492 1.12 . . . . 0.0 109.629 179.948 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.524 ' HD2' ' CG ' ' A' ' 35' ' ' HIS . 18.2 Cg_endo -75.06 0.02 9.44 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.546 1.814 . . . . 0.0 110.964 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -96.18 -10.13 28.87 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.539 1.15 . . . . 0.0 110.363 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 14.6 p -52.85 -22.66 5.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 108.293 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -69.73 -44.57 70.01 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 0.0 109.998 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -76.28 -31.87 53.58 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.49 1.119 . . . . 0.0 110.97 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 75.3 mt -81.15 -58.35 3.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 0.745 . . . . 0.0 109.285 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 110.69 27.04 4.52 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.433 1.083 . . . . 0.0 111.034 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.46 ' O ' ' N ' ' A' ' 33' ' ' SER . 46.2 p -118.97 42.66 2.76 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.496 0.763 . . . . 0.0 110.381 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 59.1 m -76.12 148.16 38.04 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.526 1.142 . . . . 0.0 108.326 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . 0.911 ' SG ' ' SG ' ' A' ' 21' ' ' CYS . 2.3 m -84.84 155.07 21.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 108.32 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -68.54 -27.74 66.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 110.333 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 6.7 p30 -113.24 17.6 18.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 109.3 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.463 ' O ' ' N ' ' A' ' 52' ' ' CYS . 16.3 t80 -64.83 -48.66 73.55 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.469 1.106 . . . . 0.0 110.977 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.464 ' O ' ' CB ' ' A' ' 53' ' ' LEU . 8.4 mt -74.03 -34.63 64.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 109.309 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -58.87 -37.79 77.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.125 . . . . 0.0 109.268 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.541 ' CD1' ' HA ' ' A' ' 22' ' ' SER . 4.9 m-85 -98.79 -20.51 16.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 111.032 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . 0.518 ' HB3' HD13 ' A' ' 55' ' ' ILE . 1.7 m -128.41 65.16 1.4 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 108.263 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.464 ' CB ' ' O ' ' A' ' 49' ' ' LEU . 0.3 OUTLIER -102.88 28.91 5.77 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 109.356 179.934 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -176.68 40.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 110.299 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.518 HD13 ' HB3' ' A' ' 52' ' ' CYS . 11.4 pt -110.55 -28.68 2.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 0.0 109.302 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.8 mt -47.95 155.51 0.84 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 109.306 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -49.95 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.491 1.785 . . . . 0.0 110.991 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 87.0 p -41.31 136.97 1.53 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.104 . . . . 0.0 110.027 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.8 t -175.62 -59.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 109.974 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 167.41 105.72 0.19 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.538 1.149 . . . . 0.0 111.046 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -156.67 124.72 5.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 0.769 . . . . 0.0 109.982 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -131.04 164.66 24.91 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 0.0 111.04 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -87.51 129.01 35.23 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 110.986 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -159.77 -96.82 0.12 Allowed Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.511 1.132 . . . . 0.0 110.984 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -116.92 164.71 12.36 Favored Glycine 0 CA--C 1.531 1.036 0 N-CA-C 110.941 -0.864 . . . . 0.0 110.941 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 1.5 mtmt -138.43 165.38 26.95 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 0.772 . . . . 0.0 109.315 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -120.56 166.45 13.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.31 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 3.9 t80 -96.04 160.91 14.21 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.527 1.142 . . . . 0.0 111.008 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 7.7 p -123.88 153.05 29.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.506 1.129 . . . . 0.0 109.32 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 9.4 p -88.51 163.19 2.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.501 1.125 . . . . 0.0 109.303 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 13.2 pt20 -122.48 169.93 10.49 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.491 1.119 . . . . 0.0 110.31 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 20.0 t60 -143.09 173.43 11.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 109.584 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -83.3 175.83 9.59 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 109.341 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 2.8 mttp 65.86 178.56 0.21 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 109.314 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . 15.2 m95 63.82 122.63 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 0.0 107.98 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 25.9 m -101.26 159.13 15.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.154 . . . . 0.0 110.383 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -70.53 142.43 89.01 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.551 1.157 . . . . 0.0 109.329 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -177.9 3.78 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.554 1.818 . . . . 0.0 110.994 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 2.3 m -97.95 171.09 8.5 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.515 1.134 . . . . 0.0 110.026 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -115.0 158.41 14.36 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.492 1.12 . . . . 0.0 110.983 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -175.68 2.49 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.442 1.759 . . . . 0.0 110.999 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 89.1 p -142.74 164.07 31.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 109.973 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 68.65 164.69 0.24 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 109.983 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.037 0 O-C-N 124.49 1.119 . . . . 0.0 110.977 179.995 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.954 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 36.2 t -162.02 -58.43 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.452 0.736 . . . . 0.0 110.009 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -55.34 99.68 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 109.991 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -147.12 144.58 12.74 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.467 1.104 . . . . 0.0 111.029 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.1 m -137.38 -60.2 0.67 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.498 0.764 . . . . 0.0 110.042 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.6 t 62.35 136.33 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 109.995 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 158.32 163.07 12.37 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.437 1.086 . . . . 0.0 111.03 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.636 ' O ' HG23 ' A' ' 8' ' ' ILE . 5.4 tp -145.97 86.61 7.07 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.511 0.771 . . . . 0.0 109.291 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 140.59 25.6 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.532 1.806 . . . . 0.0 110.987 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -155.46 157.46 27.73 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.519 1.137 . . . . 0.0 110.993 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 142.94 28.57 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.455 1.766 . . . . 0.0 110.994 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -152.34 67.29 0.33 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.501 1.125 . . . . 0.0 110.992 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -87.71 161.36 17.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 0.769 . . . . 0.0 111.013 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 9.8 t -133.96 135.48 43.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.146 . . . . 0.0 110.423 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -147.39 102.17 3.44 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 109.333 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 125.57 130.4 3.46 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.493 1.121 . . . . 0.0 111.017 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -83.07 79.23 9.43 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.47 0.747 . . . . 0.0 109.318 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -59.57 -175.9 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 110.298 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 117.53 55.92 0.3 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.439 1.087 . . . . 0.0 111.003 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 4.5 p -124.62 151.02 45.37 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.518 0.775 . . . . 0.0 109.996 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.961 ' SG ' ' SG ' ' A' ' 45' ' ' CYS . 73.5 m -126.91 48.52 2.18 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.467 1.105 . . . . 0.0 108.316 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.512 ' HB3' HD13 ' A' ' 23' ' ' LEU . 30.4 t -84.33 -46.71 11.48 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.55 1.156 . . . . 0.0 109.971 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.63 ' N ' HD13 ' A' ' 23' ' ' LEU . 0.0 OUTLIER -111.41 32.37 5.42 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.548 1.155 . . . . 0.0 109.272 -179.977 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.755 ' HD2' ' HB3' ' A' ' 27' ' ' ALA . 1.2 mtt180 -124.06 -93.25 0.51 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.491 1.119 . . . . 0.0 110.277 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 74.2 m 59.41 40.32 21.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 108.279 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 166.53 55.37 0.03 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.534 1.146 . . . . 0.0 110.97 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.755 ' HB3' ' HD2' ' A' ' 24' ' ' ARG . . . -156.6 163.49 39.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 0.767 . . . . 0.0 109.255 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 69.5 mt-30 -126.2 126.98 44.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 110.295 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -128.35 177.73 6.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.1 . . . . 0.0 109.239 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -81.13 -59.82 2.36 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.488 1.117 . . . . 0.0 111.004 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.3 mp -54.31 -46.54 72.85 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 0.773 . . . . 0.0 109.322 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.406 ' SG ' ' N ' ' A' ' 33' ' ' SER . 0.7 OUTLIER -146.46 -167.04 2.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 108.274 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.45 ' N ' ' O ' ' A' ' 43' ' ' THR . 18.8 t -155.89 140.61 17.04 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.518 1.136 . . . . 0.0 109.956 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.44 ' N ' ' O ' ' A' ' 27' ' ' ALA . 6.2 m -104.02 28.12 7.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 108.308 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.517 ' CG ' ' HD2' ' A' ' 36' ' ' PRO . 0.2 OUTLIER -109.17 152.07 42.35 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.504 1.127 . . . . 0.0 109.622 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.517 ' HD2' ' CG ' ' A' ' 35' ' ' HIS . 18.3 Cg_endo -75.01 -5.21 16.5 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.484 1.781 . . . . 0.0 111.014 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 41.9 p -86.73 -12.65 47.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.142 . . . . 0.0 110.408 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.447 ' O ' ' N ' ' A' ' 42' ' ' GLY . 22.0 p -60.35 -17.13 41.27 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.517 1.136 . . . . 0.0 108.26 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 6.0 t -70.66 -39.94 73.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.137 . . . . 0.0 110.032 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -76.16 -33.96 47.96 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.557 1.16 . . . . 0.0 110.98 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.2 mt -85.46 -65.7 0.98 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 0.763 . . . . 0.0 109.312 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' ' 38' ' ' CYS . . . 119.89 37.98 0.73 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.541 1.151 . . . . 0.0 111.037 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.45 ' O ' ' N ' ' A' ' 33' ' ' SER . 72.3 p -119.44 30.88 6.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 0.767 . . . . 0.0 110.385 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 56.4 m -70.16 147.66 49.6 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 108.344 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . 0.961 ' SG ' ' SG ' ' A' ' 21' ' ' CYS . 2.5 m -81.57 155.86 25.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.138 . . . . 0.0 108.278 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -68.93 -27.94 66.21 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.129 . . . . 0.0 110.294 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 6.8 p30 -113.07 16.89 19.16 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 109.276 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.442 ' O ' ' N ' ' A' ' 52' ' ' CYS . 13.1 t80 -62.95 -48.23 79.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 0.0 110.985 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.454 ' O ' ' CG ' ' A' ' 53' ' ' LEU . 5.3 mt -73.53 -30.91 63.38 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.485 1.116 . . . . 0.0 109.278 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -58.64 -38.3 77.8 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.443 1.09 . . . . 0.0 109.294 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.506 ' CG ' ' HA ' ' A' ' 22' ' ' SER . 34.2 m-85 -101.02 -22.41 14.76 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.518 1.136 . . . . 0.0 111.03 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . 0.442 ' N ' ' O ' ' A' ' 48' ' ' PHE . 2.0 m -123.23 65.54 0.99 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.46 1.1 . . . . 0.0 108.318 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.454 ' CG ' ' O ' ' A' ' 49' ' ' LEU . 0.3 OUTLIER -104.29 27.25 7.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 109.34 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -177.08 42.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.555 1.159 . . . . 0.0 110.293 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.419 HD13 ' HB3' ' A' ' 52' ' ' CYS . 7.4 pt -111.71 -30.77 2.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.492 1.12 . . . . 0.0 109.316 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.1 mt -39.89 100.14 0.21 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 109.274 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.406 ' N ' ' O ' ' A' ' 55' ' ' ILE . 18.1 Cg_endo -75.04 133.93 17.13 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.471 1.774 . . . . 0.0 110.993 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -44.09 154.09 0.12 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.451 1.094 . . . . 0.0 109.977 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.2 m -80.75 -59.18 2.78 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.5 1.125 . . . . 0.0 109.966 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -129.4 157.0 21.57 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.468 1.105 . . . . 0.0 110.961 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -117.93 163.52 16.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 0.767 . . . . 0.0 109.997 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 68.19 -72.67 0.09 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 111.003 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER 54.1 92.77 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 111.036 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -61.17 -107.89 0.01 OUTLIER Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.53 1.144 . . . . 0.0 110.984 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 116.03 158.34 11.49 Favored Glycine 0 CA--C 1.531 1.06 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 1.9 tttt -122.39 78.89 1.55 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 0.779 . . . . 0.0 109.307 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -87.35 94.82 9.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 109.303 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 27.5 p90 -59.4 156.12 13.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 111.024 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 20.4 m -99.45 142.51 14.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 109.304 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 7.4 p -109.53 136.89 44.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.534 1.146 . . . . 0.0 109.318 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 48.5 mt-30 -55.61 147.04 19.03 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.54 1.15 . . . . 0.0 110.298 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 3.7 p80 -125.78 171.32 10.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 109.592 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -96.02 175.4 6.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.256 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 8.1 tttp -120.92 156.69 31.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.298 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -163.63 159.53 21.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.561 1.163 . . . . 0.0 108.005 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 99.7 m -145.54 155.22 42.94 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.537 1.148 . . . . 0.0 110.403 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -157.21 125.38 2.86 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 109.278 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 177.9 7.99 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.529 1.805 . . . . 0.0 110.99 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 33.9 p -151.32 166.19 31.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.49 1.119 . . . . 0.0 110.045 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -157.61 97.2 0.16 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.522 1.139 . . . . 0.0 110.989 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 179.47 6.06 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.47 1.774 . . . . 0.0 111.002 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 74.4 m -148.36 177.38 9.48 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.458 1.099 . . . . 0.0 110.038 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 5.5 t -146.53 171.57 14.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 109.987 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 O-C-N 124.506 1.129 . . . . 0.0 111.004 179.957 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.969 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.0 m -122.29 109.58 14.63 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.502 0.766 . . . . 0.0 109.999 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -136.68 111.89 9.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.143 . . . . 0.0 109.989 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 163.53 -82.74 0.11 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.51 1.131 . . . . 0.0 110.967 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.8 t -155.88 166.18 34.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 0.755 . . . . 0.0 109.999 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -67.65 -59.49 3.3 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.116 . . . . 0.0 109.999 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -155.02 145.31 12.29 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.505 1.128 . . . . 0.0 110.993 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 3.2 pt -146.66 89.56 5.75 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.441 0.73 . . . . 0.0 109.313 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 137.47 21.84 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.459 1.768 . . . . 0.0 110.992 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -155.59 172.08 33.67 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.501 1.126 . . . . 0.0 111.003 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -41.11 0.71 Allowed 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.505 1.792 . . . . 0.0 110.976 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -62.1 128.95 42.98 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.459 1.1 . . . . 0.0 111.004 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -155.62 170.36 22.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 0.747 . . . . 0.0 111.004 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 92.8 m -131.84 148.34 52.54 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 110.377 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -130.02 86.35 2.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 0.0 109.3 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 134.85 107.47 0.93 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.464 1.102 . . . . 0.0 110.971 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.561 ' O ' HD13 ' A' ' 31' ' ' LEU . . . -174.7 156.8 2.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 0.781 . . . . 0.0 109.279 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 4.3 mm-40 59.73 165.52 0.06 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.547 1.154 . . . . 0.0 110.328 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 124.67 78.66 0.36 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.519 1.137 . . . . 0.0 110.996 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -119.72 151.03 39.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 0.762 . . . . 0.0 109.968 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 1.041 ' SG ' ' SG ' ' A' ' 45' ' ' CYS . 74.7 m -125.27 48.39 2.03 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.132 . . . . 0.0 108.277 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 10.6 m -82.65 -50.13 9.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.969 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -109.87 41.92 1.61 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.146 . . . . 0.0 109.292 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.81 ' HD2' ' HB3' ' A' ' 27' ' ' ALA . 1.0 OUTLIER -131.81 -93.2 0.38 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.143 . . . . 0.0 110.306 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 93.0 m 59.42 40.24 21.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.15 . . . . 0.0 108.304 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 160.27 60.16 0.01 OUTLIER Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.501 1.126 . . . . 0.0 111.026 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.81 ' HB3' ' HD2' ' A' ' 24' ' ' ARG . . . -156.46 162.43 39.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 0.783 . . . . 0.0 109.345 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 34.4 mt-30 -126.2 127.3 45.47 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.112 . . . . 0.0 110.268 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.49 ' CB ' ' O ' ' A' ' 32' ' ' CYS . 0.2 OUTLIER -128.15 177.25 7.04 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.524 1.14 . . . . 0.0 109.264 -179.964 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -82.56 -46.81 6.25 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.476 1.11 . . . . 0.0 110.963 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.561 HD13 ' O ' ' A' ' 17' ' ' ALA . 72.4 mt -68.07 -42.59 80.23 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 0.764 . . . . 0.0 109.32 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.49 ' O ' ' CB ' ' A' ' 29' ' ' ASP . 5.7 p -156.54 -179.62 8.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.12 . . . . 0.0 108.266 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 38.7 t -141.6 145.7 35.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.553 1.158 . . . . 0.0 110.03 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.411 ' N ' ' O ' ' A' ' 27' ' ' ALA . 6.9 m -110.04 11.61 23.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.544 1.153 . . . . 0.0 108.272 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.519 ' CG ' ' HD2' ' A' ' 36' ' ' PRO . 0.3 OUTLIER -82.85 149.98 61.02 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 109.597 -179.98 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.519 ' HD2' ' CG ' ' A' ' 35' ' ' HIS . 18.3 Cg_endo -74.96 -0.8 10.4 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.431 1.753 . . . . 0.0 111.012 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 16.8 p -101.06 -6.43 24.41 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.56 1.162 . . . . 0.0 110.392 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.43 ' O ' ' N ' ' A' ' 42' ' ' GLY . 25.7 p -62.47 -21.65 65.63 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.453 1.096 . . . . 0.0 108.282 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -63.6 -40.95 98.23 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.523 1.139 . . . . 0.0 110.018 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -75.53 -26.36 65.68 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.478 1.111 . . . . 0.0 111.027 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.9 mt -86.12 -69.12 0.69 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 0.756 . . . . 0.0 109.283 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.43 ' N ' ' O ' ' A' ' 38' ' ' CYS . . . 119.4 40.39 0.63 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.53 1.144 . . . . 0.0 110.99 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.412 ' O ' ' HA ' ' A' ' 32' ' ' CYS . 12.5 p -126.65 14.47 7.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 0.741 . . . . 0.0 110.352 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 58.5 m -55.59 148.16 16.51 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.133 . . . . 0.0 108.288 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . 1.041 ' SG ' ' SG ' ' A' ' 21' ' ' CYS . 4.4 m -77.46 147.89 35.67 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.476 1.11 . . . . 0.0 108.31 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -62.15 -25.86 67.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 110.243 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -111.0 19.27 18.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.561 1.163 . . . . 0.0 109.288 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.586 ' CZ ' HD11 ' A' ' 55' ' ' ILE . 9.2 t80 -62.41 -48.17 80.9 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 0.0 110.997 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.724 ' N ' HD13 ' A' ' 49' ' ' LEU . 0.0 OUTLIER -73.5 -30.59 63.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.131 . . . . 0.0 109.31 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -58.47 -28.37 65.27 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.131 . . . . 0.0 109.293 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.416 ' CB ' ' O ' ' A' ' 21' ' ' CYS . 46.3 m-85 -113.96 -18.66 11.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.132 . . . . 0.0 111.002 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . 0.801 ' HB3' HD13 ' A' ' 55' ' ' ILE . 2.2 m -132.34 71.0 1.46 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 108.359 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -101.01 27.3 6.15 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.531 1.144 . . . . 0.0 109.275 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -172.52 55.39 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.5 1.125 . . . . 0.0 110.311 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.801 HD13 ' HB3' ' A' ' 52' ' ' CYS . 5.0 pt -130.21 -45.41 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 0.0 109.283 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.419 ' N ' HG13 ' A' ' 55' ' ' ILE . 53.2 mt -40.43 158.42 0.16 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.143 . . . . 0.0 109.298 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 156.43 43.15 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.512 1.796 . . . . 0.0 110.981 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 3.9 m -108.86 96.86 6.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 110.02 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -59.83 115.95 3.75 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.134 . . . . 0.0 110.013 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 61.11 140.31 0.01 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.472 1.107 . . . . 0.0 111.03 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 3.8 t -133.55 83.81 2.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.454 0.737 . . . . 0.0 110.029 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -179.66 118.58 0.06 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.546 1.154 . . . . 0.0 110.963 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -46.17 153.85 0.3 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 110.999 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -129.54 75.16 0.43 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.482 1.114 . . . . 0.0 111.018 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 99.58 -109.89 3.85 Favored Glycine 0 CA--C 1.531 1.036 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -165.86 75.16 0.21 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 0.778 . . . . 0.0 109.273 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.529 ' HB3' ' CD1' ' A' ' 68' ' ' PHE . 0.9 OUTLIER -72.65 -59.49 2.69 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 109.296 179.974 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.529 ' CD1' ' HB3' ' A' ' 67' ' ' ASP . 50.5 p90 -176.68 121.58 0.14 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.544 1.153 . . . . 0.0 111.007 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 77.9 t -109.73 126.38 66.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 0.0 109.294 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 35.3 m -98.15 162.08 2.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 0.0 109.328 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 6.2 mt-30 -112.33 148.47 34.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 110.333 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 3.2 m80 -88.73 165.9 14.42 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.5 1.125 . . . . 0.0 109.617 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -127.83 171.26 11.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.283 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -99.66 167.42 10.58 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.524 1.14 . . . . 0.0 109.248 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . 43.3 t-105 -95.35 152.08 18.7 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 107.933 -1.136 . . . . 0.0 107.933 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 4.2 t -141.91 138.2 31.86 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.482 1.114 . . . . 0.0 110.416 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 25.0 p-10 -57.21 131.19 80.64 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.305 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.9 71.69 4.84 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.507 1.793 . . . . 0.0 111.037 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.7 m -97.22 92.49 6.04 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.498 1.124 . . . . 0.0 109.994 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -95.68 -78.47 1.41 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.452 1.095 . . . . 0.0 111.008 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 127.14 10.44 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.483 1.781 . . . . 0.0 111.027 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -41.92 107.57 0.08 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 0.0 109.985 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 28.5 p -127.36 151.7 48.44 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 109.996 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.033 0 O-C-N 124.557 1.161 . . . . 0.0 111.043 -179.998 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.026 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 65.19 153.12 0.06 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 0.745 . . . . 0.0 110.041 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 177.6 165.57 0.64 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.504 1.128 . . . . 0.0 110.007 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 175.19 -179.24 46.57 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.494 1.121 . . . . 0.0 111.015 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 83.5 p -167.57 162.5 14.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 0.761 . . . . 0.0 110.012 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.2 p -134.26 -53.74 0.84 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.143 . . . . 0.0 109.98 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.516 ' O ' ' CG1' ' A' ' 8' ' ' ILE . . . -75.1 165.94 54.77 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.461 1.101 . . . . 0.0 111.025 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.516 ' CG1' ' O ' ' A' ' 7' ' ' GLY . 0.4 OUTLIER 164.2 -52.61 0.0 OUTLIER Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.506 0.768 . . . . 0.0 109.34 -179.984 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.507 ' CD ' ' N ' ' A' ' 8' ' ' ILE . 18.1 Cg_endo -75.04 155.96 42.79 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.498 1.789 . . . . 0.0 110.977 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -136.14 157.48 23.47 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.504 1.127 . . . . 0.0 111.01 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 162.1 37.81 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.46 1.769 . . . . 0.0 111.026 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 118.13 115.54 2.69 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.536 1.148 . . . . 0.0 110.973 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 10.0 m-85 -135.42 120.97 19.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 0.783 . . . . 0.0 111.039 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 16.8 m -143.22 95.12 2.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.132 . . . . 0.0 110.4 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -128.06 150.22 50.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.143 . . . . 0.0 109.308 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 155.2 122.69 0.81 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.498 1.123 . . . . 0.0 110.995 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . 49.36 82.19 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 0.758 . . . . 0.0 109.292 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 4.3 pt20 -175.76 -178.68 1.1 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 110.316 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 115.99 56.81 0.33 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.479 1.112 . . . . 0.0 110.984 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 21.4 m -125.49 150.89 46.97 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 0.77 . . . . 0.0 110.02 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 1.037 ' SG ' ' SG ' ' A' ' 45' ' ' CYS . 67.5 m -122.4 61.7 0.98 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 108.316 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.648 ' HB3' HD13 ' A' ' 23' ' ' LEU . 6.0 t -84.72 -57.92 2.93 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 109.997 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.648 HD13 ' HB3' ' A' ' 22' ' ' SER . 0.0 OUTLIER -116.7 26.05 10.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 109.304 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.723 ' HD2' ' HB3' ' A' ' 27' ' ' ALA . 0.7 OUTLIER -102.78 -92.8 0.33 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 0.0 110.293 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 60.9 m 59.61 40.19 20.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.452 1.095 . . . . 0.0 108.259 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 166.43 56.14 0.03 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.464 1.102 . . . . 0.0 111.022 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.723 ' HB3' ' HD2' ' A' ' 24' ' ' ARG . . . -156.28 164.69 38.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 0.765 . . . . 0.0 109.317 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 60.3 mt-30 -126.27 126.92 44.79 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 110.305 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -128.23 175.12 8.69 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 109.286 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -79.82 -54.75 3.8 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.497 1.123 . . . . 0.0 110.976 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.604 HD22 ' H ' ' A' ' 31' ' ' LEU . 2.5 mm? -60.42 -46.64 89.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 0.757 . . . . 0.0 109.278 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.418 ' HA ' ' O ' ' A' ' 43' ' ' THR . 0.8 OUTLIER -145.5 -171.34 3.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 108.339 179.971 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.438 ' N ' ' O ' ' A' ' 43' ' ' THR . 19.4 t -153.28 137.69 16.7 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.454 1.096 . . . . 0.0 109.951 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.437 ' N ' ' O ' ' A' ' 27' ' ' ALA . 12.7 m -102.98 28.36 6.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.567 1.167 . . . . 0.0 108.299 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.518 ' CG ' ' HD2' ' A' ' 36' ' ' PRO . 0.1 OUTLIER -107.42 152.4 41.28 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 109.599 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.518 ' HD2' ' CG ' ' A' ' 35' ' ' HIS . 18.3 Cg_endo -74.98 -0.16 9.63 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.549 1.815 . . . . 0.0 110.984 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 50.7 p -94.63 -11.33 29.53 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.465 1.103 . . . . 0.0 110.389 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.441 ' O ' ' N ' ' A' ' 42' ' ' GLY . 21.0 p -55.35 -20.71 12.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.421 1.076 . . . . 0.0 108.312 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -67.62 -40.14 84.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.449 1.093 . . . . 0.0 109.983 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -75.73 -34.1 49.72 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.46 1.1 . . . . 0.0 111.029 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.1 mt -83.2 -67.72 0.77 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 0.756 . . . . 0.0 109.332 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 38' ' ' CYS . . . 118.07 42.33 0.61 Allowed Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.467 1.104 . . . . 0.0 111.043 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.438 ' O ' ' N ' ' A' ' 33' ' ' SER . 46.9 p -129.22 29.35 5.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.446 0.733 . . . . 0.0 110.38 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 33.7 m -63.37 144.71 56.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 108.288 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . 1.037 ' SG ' ' SG ' ' A' ' 21' ' ' CYS . 2.9 m -79.2 145.87 33.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 108.313 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -61.97 -26.24 68.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.565 1.166 . . . . 0.0 110.291 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -111.75 19.74 17.73 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.528 1.143 . . . . 0.0 109.335 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.485 ' CD2' ' CD1' ' A' ' 49' ' ' LEU . 11.4 t80 -66.92 -48.2 69.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 110.982 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.728 ' N ' HD13 ' A' ' 49' ' ' LEU . 0.0 OUTLIER -73.34 -30.3 63.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.318 179.97 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -57.94 -38.78 76.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 0.0 109.31 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.499 ' CB ' ' O ' ' A' ' 21' ' ' CYS . 44.6 m-85 -104.31 -16.56 15.12 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.548 1.155 . . . . 0.0 111.019 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . 0.55 ' HB3' HD13 ' A' ' 55' ' ' ILE . 0.4 OUTLIER -132.76 66.44 1.56 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 108.278 179.976 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.44 ' CB ' ' O ' ' A' ' 49' ' ' LEU . 0.4 OUTLIER -97.48 8.9 43.75 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.471 1.107 . . . . 0.0 109.29 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -159.55 46.1 0.26 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 0.0 110.321 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.55 HD13 ' HB3' ' A' ' 52' ' ' CYS . 8.6 pt -111.34 -29.17 2.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.471 1.107 . . . . 0.0 109.306 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 6.2 mt -54.51 155.05 7.85 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.109 . . . . 0.0 109.33 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -53.98 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.527 1.804 . . . . 0.0 110.993 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 36.4 t -178.03 85.75 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.496 1.122 . . . . 0.0 109.994 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.7 m 56.2 170.82 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.458 1.098 . . . . 0.0 109.988 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -98.46 69.76 0.64 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.529 1.143 . . . . 0.0 111.048 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 33.9 t -115.18 85.55 2.29 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.534 0.785 . . . . 0.0 109.983 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 4.1 ttt -177.71 108.51 0.06 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 110.984 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 37.3 mtt -132.92 145.58 51.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 110.995 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -113.35 -79.9 0.95 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.533 1.145 . . . . 0.0 110.96 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 38.94 90.45 0.01 OUTLIER Glycine 0 CA--C 1.53 1.017 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.21 163.78 31.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 0.766 . . . . 0.0 109.303 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 63.09 132.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.447 1.092 . . . . 0.0 109.292 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -165.36 155.33 13.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 111.027 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 8.3 p -131.71 153.44 38.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 109.283 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 65.8 t -128.24 144.67 37.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.299 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -160.84 147.57 15.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 110.327 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -174.5 172.85 3.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 109.58 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER 54.72 89.73 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.323 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -175.51 79.0 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 109.32 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . 30.3 m95 -150.59 144.85 25.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.133 . . . . 0.0 107.99 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 9.6 t -172.28 136.79 0.84 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.135 . . . . 0.0 110.386 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 177.84 99.55 0.14 Allowed Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 109.295 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -179.82 5.38 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.55 1.816 . . . . 0.0 111.021 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 12.9 m -143.71 169.79 17.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.108 . . . . 0.0 110.015 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 173.06 97.23 0.11 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.487 1.117 . . . . 0.0 110.996 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 -179.86 5.41 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.483 1.781 . . . . 0.0 111.0 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 8.2 t -169.59 172.68 6.8 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.129 . . . . 0.0 110.023 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 66.16 157.74 0.11 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 110.036 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.027 0 O-C-N 124.493 1.12 . . . . 0.0 110.996 -179.999 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.978 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.5 t -146.01 -58.56 0.31 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 0.751 . . . . 0.0 110.009 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 97.8 p -171.27 169.56 6.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.992 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -89.95 167.92 33.69 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.528 1.142 . . . . 0.0 111.012 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 35.6 p -148.86 134.65 18.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 0.745 . . . . 0.0 110.013 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -74.03 162.16 29.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 110.016 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -68.58 -152.71 0.46 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.486 1.117 . . . . 0.0 110.994 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 5.3 mp -133.31 87.9 36.98 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.454 0.738 . . . . 0.0 109.281 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 125.08 9.09 Favored 'Trans proline' 0 C--N 1.359 1.106 0 O-C-N 124.486 1.782 . . . . 0.0 111.03 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -85.95 158.72 32.15 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.508 1.13 . . . . 0.0 110.992 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.464 ' HG2' ' CG2' ' A' ' 14' ' ' THR . 18.2 Cg_endo -75.01 170.01 21.35 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.511 1.795 . . . . 0.0 111.017 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -77.62 -62.71 2.35 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.539 1.149 . . . . 0.0 111.016 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -80.12 101.36 8.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.564 0.802 . . . . 0.0 110.985 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.464 ' CG2' ' HG2' ' A' ' 11' ' ' PRO . 2.9 p -130.57 95.35 3.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.14 . . . . 0.0 110.401 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -141.73 159.39 42.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 109.317 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 155.79 163.84 12.62 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.526 1.141 . . . . 0.0 110.987 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -135.47 83.42 2.02 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.54 0.788 . . . . 0.0 109.324 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 7.1 pt20 -112.21 -176.35 2.9 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.107 . . . . 0.0 110.315 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 118.63 58.47 0.27 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.512 1.132 . . . . 0.0 110.944 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 12.1 p -125.76 151.02 47.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 0.748 . . . . 0.0 110.017 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.931 ' SG ' ' SG ' ' A' ' 45' ' ' CYS . 86.3 m -126.17 51.16 1.81 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 108.263 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.497 ' HA ' ' CG ' ' A' ' 51' ' ' TYR . 77.1 p -84.83 -47.48 10.32 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 109.956 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -112.41 26.58 10.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 109.272 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.764 ' HD2' ' HB3' ' A' ' 27' ' ' ALA . 1.1 mtt180 -117.43 -94.29 0.5 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.474 1.109 . . . . 0.0 110.299 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 60.3 m 59.43 40.12 21.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 108.309 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 165.63 55.19 0.02 OUTLIER Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.497 1.123 . . . . 0.0 110.992 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.764 ' HB3' ' HD2' ' A' ' 24' ' ' ARG . . . -154.42 166.95 31.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.451 0.736 . . . . 0.0 109.303 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 29.8 mt-30 -126.24 127.18 45.23 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.529 1.143 . . . . 0.0 110.299 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -128.18 173.27 10.25 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 0.0 109.306 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -79.91 -55.13 3.65 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.533 1.145 . . . . 0.0 111.003 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 29.1 mt -60.77 -41.64 95.9 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 0.778 . . . . 0.0 109.269 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -150.44 -170.62 3.7 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.144 . . . . 0.0 108.273 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.449 ' N ' ' O ' ' A' ' 43' ' ' THR . 18.6 t -153.3 139.21 18.1 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.513 1.133 . . . . 0.0 110.008 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 8.7 m -103.4 26.99 7.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 108.301 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.52 ' CG ' ' HD2' ' A' ' 36' ' ' PRO . 0.1 OUTLIER -105.74 151.82 40.0 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.582 -179.974 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.52 ' HD2' ' CG ' ' A' ' 35' ' ' HIS . 18.2 Cg_endo -74.95 -0.06 9.48 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.468 1.773 . . . . 0.0 110.984 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 66.2 p -96.99 -2.27 43.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.106 . . . . 0.0 110.393 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.431 ' O ' ' N ' ' A' ' 42' ' ' GLY . 26.6 p -67.35 -19.06 65.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 108.304 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.6 m -67.5 -41.97 83.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 110.041 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -75.71 -32.26 54.42 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.444 1.09 . . . . 0.0 110.988 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 16.2 mt -82.38 -66.02 0.94 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 0.768 . . . . 0.0 109.333 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.431 ' N ' ' O ' ' A' ' 38' ' ' CYS . . . 116.8 38.45 0.89 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.472 1.108 . . . . 0.0 110.981 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.449 ' O ' ' N ' ' A' ' 33' ' ' SER . 58.9 p -125.56 27.89 6.38 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 0.767 . . . . 0.0 110.43 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 57.2 m -64.47 147.25 53.13 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.461 1.1 . . . . 0.0 108.263 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . 0.931 ' SG ' ' SG ' ' A' ' 21' ' ' CYS . 3.9 m -80.38 150.82 29.71 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.48 1.112 . . . . 0.0 108.291 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -65.08 -27.8 69.02 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.477 1.11 . . . . 0.0 110.272 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -110.96 20.82 17.12 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.486 1.116 . . . . 0.0 109.297 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.518 ' CD2' HD13 ' A' ' 49' ' ' LEU . 29.0 t80 -66.07 -48.57 70.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 0.0 110.954 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.691 HD22 ' H ' ' A' ' 49' ' ' LEU . 0.2 OUTLIER -73.75 -30.05 62.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.434 1.084 . . . . 0.0 109.287 -179.966 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -57.77 -40.77 80.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.135 . . . . 0.0 109.313 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.499 ' CB ' ' O ' ' A' ' 21' ' ' CYS . 48.2 m-85 -101.67 -20.96 14.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 110.997 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . 0.544 ' HB3' HD13 ' A' ' 55' ' ' ILE . 0.1 OUTLIER -128.14 66.55 1.36 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.111 . . . . 0.0 108.25 -179.951 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.453 ' CB ' ' O ' ' A' ' 49' ' ' LEU . 0.3 OUTLIER -95.81 7.62 45.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.27 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -158.17 48.4 0.37 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 110.297 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.544 HD13 ' HB3' ' A' ' 52' ' ' CYS . 9.1 pt -113.8 -32.68 2.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.554 1.158 . . . . 0.0 109.322 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.417 ' N ' HG13 ' A' ' 55' ' ' ILE . 5.0 mt -54.8 154.75 8.96 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.346 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 110.4 3.11 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.431 1.753 . . . . 0.0 111.012 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -123.15 106.6 10.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.125 . . . . 0.0 110.003 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -157.1 160.76 39.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.986 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -82.61 -150.47 8.95 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.47 1.106 . . . . 0.0 111.0 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 2.1 m 57.44 98.98 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.525 0.779 . . . . 0.0 109.966 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 6.6 mtm -104.42 90.17 3.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 111.007 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 3.9 ptt? -67.28 148.19 52.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.125 . . . . 0.0 110.99 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -116.84 134.04 11.05 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.525 1.141 . . . . 0.0 110.996 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -114.59 -127.16 4.34 Favored Glycine 0 CA--C 1.53 0.973 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 4.3 pttp 41.28 49.28 3.3 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.476 0.75 . . . . 0.0 109.337 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -47.46 161.12 0.09 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.328 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -87.28 149.14 24.75 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.503 1.127 . . . . 0.0 110.973 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 35.0 m -119.82 161.91 18.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.524 1.14 . . . . 0.0 109.325 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 8.7 p -97.02 161.19 2.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.483 1.114 . . . . 0.0 109.291 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -92.14 169.7 10.41 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 110.261 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . 0.634 ' O ' HD22 ' A' ' 73' ' ' LEU . 0.0 OUTLIER -118.11 172.66 7.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.107 . . . . 0.0 109.636 179.935 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.634 HD22 ' O ' ' A' ' 72' ' ' HIS . 3.1 mm? -127.26 170.58 12.3 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.461 1.1 . . . . 0.0 109.276 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.414 ' O ' ' CG ' ' A' ' 75' ' ' TRP . 0.0 OUTLIER -119.59 175.53 5.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.437 1.086 . . . . 0.0 109.286 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' TRP . . . . . 0.414 ' CG ' ' O ' ' A' ' 74' ' ' LYS . 3.3 m-90 -160.85 161.43 31.88 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 69.4 p -126.85 172.56 10.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.542 1.151 . . . . 0.0 110.405 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -133.98 121.38 15.74 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.296 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -177.87 3.78 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.546 1.814 . . . . 0.0 110.988 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -125.48 170.26 11.59 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.117 . . . . 0.0 109.942 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -137.48 157.22 23.93 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.436 1.085 . . . . 0.0 110.989 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -174.71 2.04 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.521 1.8 . . . . 0.0 110.987 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 15.6 p -164.89 161.51 20.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.554 1.159 . . . . 0.0 109.956 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 69.07 167.4 0.28 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 109.983 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.955 0 O-C-N 124.507 1.129 . . . . 0.0 111.005 -179.983 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.983 0 N-CA-C 111.036 -0.826 . . . . 0.0 111.036 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -99.69 168.98 9.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 0.743 . . . . 0.0 110.023 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -112.62 168.84 9.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.553 1.158 . . . . 0.0 109.978 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -155.37 -66.41 0.01 OUTLIER Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.53 1.144 . . . . 0.0 110.967 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 51.5 p -54.78 149.66 10.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 0.749 . . . . 0.0 110.006 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.3 p -177.92 161.16 1.54 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.482 1.113 . . . . 0.0 109.991 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.41 ' C ' HG22 ' A' ' 8' ' ' ILE . . . -66.69 -140.86 0.05 OUTLIER Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.544 1.152 . . . . 0.0 111.002 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.41 HG22 ' C ' ' A' ' 7' ' ' GLY . 0.6 OUTLIER 42.91 65.11 5.63 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.469 0.747 . . . . 0.0 109.291 -179.98 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.405 ' HD3' ' N ' ' A' ' 8' ' ' ILE . 18.3 Cg_endo -74.94 -44.3 0.35 Allowed 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.485 1.782 . . . . 0.0 111.039 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 123.19 97.27 1.3 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.472 1.108 . . . . 0.0 110.997 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 100.83 1.4 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.489 1.784 . . . . 0.0 110.975 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -74.49 120.54 6.53 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.493 1.121 . . . . 0.0 110.971 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -168.43 133.53 1.72 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.547 0.792 . . . . 0.0 111.048 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 3.5 m -78.85 142.77 36.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.551 1.157 . . . . 0.0 110.432 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -98.7 -59.47 1.73 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.567 1.167 . . . . 0.0 109.294 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.694 ' HA2' HD21 ' A' ' 31' ' ' LEU . . . 53.38 63.17 5.3 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.463 1.102 . . . . 0.0 110.997 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -143.38 -60.59 0.41 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 0.787 . . . . 0.0 109.305 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 5.5 pt20 -57.35 -175.88 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 110.296 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 104.26 63.03 0.67 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.492 1.12 . . . . 0.0 110.979 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -127.45 151.19 49.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 0.758 . . . . 0.0 110.021 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.589 ' SG ' ' SG ' ' A' ' 45' ' ' CYS . 37.2 m -128.32 44.5 2.94 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 108.296 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.463 ' HA ' ' CD1' ' A' ' 51' ' ' TYR . 29.0 t -75.3 -1.87 25.63 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.127 . . . . 0.0 110.017 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.497 ' C ' ' CD1' ' A' ' 23' ' ' LEU . 0.1 OUTLIER -168.99 32.52 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 109.34 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.501 ' CB ' ' SG ' ' A' ' 34' ' ' CYS . 1.8 mmm180 -105.38 -92.53 0.37 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.521 1.138 . . . . 0.0 110.294 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 72.6 m 59.63 40.34 20.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 108.289 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 158.35 61.21 0.01 OUTLIER Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.523 1.14 . . . . 0.0 111.043 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.44 ' CB ' ' NE ' ' A' ' 24' ' ' ARG . . . -158.86 155.62 28.13 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.492 0.76 . . . . 0.0 109.245 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 5.0 mm-40 -126.09 126.62 44.49 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.521 1.138 . . . . 0.0 110.307 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -128.63 177.8 6.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.44 1.087 . . . . 0.0 109.268 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -84.31 -50.65 4.21 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.491 1.119 . . . . 0.0 111.017 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.694 HD21 ' HA2' ' A' ' 16' ' ' GLY . 0.8 OUTLIER -61.78 -43.53 98.68 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.526 0.78 . . . . 0.0 109.296 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.439 ' SG ' ' N ' ' A' ' 33' ' ' SER . 0.9 OUTLIER -150.05 -162.43 1.55 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 108.284 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.439 ' N ' ' SG ' ' A' ' 32' ' ' CYS . 23.3 t -165.25 139.35 4.82 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.508 1.13 . . . . 0.0 110.018 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.544 ' HA ' ' CD1' ' A' ' 48' ' ' PHE . 4.7 m -101.45 12.1 37.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 108.33 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.524 ' CG ' ' HD2' ' A' ' 36' ' ' PRO . 0.1 OUTLIER -83.21 152.32 64.64 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.133 . . . . 0.0 109.617 -179.981 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.524 ' HD2' ' CG ' ' A' ' 35' ' ' HIS . 18.3 Cg_endo -74.98 -19.87 17.47 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.505 1.792 . . . . 0.0 110.993 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.544 ' O ' HD12 ' A' ' 41' ' ' LEU . 10.4 p -83.1 -2.43 55.39 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 110.381 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 15.7 p -64.45 -15.04 59.99 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.466 1.104 . . . . 0.0 108.305 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 98.4 p -70.47 -41.75 72.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.143 . . . . 0.0 109.998 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -76.05 -30.48 57.3 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.505 1.128 . . . . 0.0 110.989 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.544 HD12 ' O ' ' A' ' 37' ' ' THR . 1.4 mt -83.53 -55.83 4.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 0.774 . . . . 0.0 109.272 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 103.81 36.8 3.13 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.545 1.153 . . . . 0.0 110.963 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.432 ' O ' ' N ' ' A' ' 33' ' ' SER . 46.8 p -116.97 18.58 14.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.453 0.737 . . . . 0.0 110.425 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 35.5 m -62.1 146.14 51.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 108.263 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . 0.589 ' SG ' ' SG ' ' A' ' 21' ' ' CYS . 0.2 OUTLIER -83.43 168.07 16.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 108.294 179.954 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -78.4 -23.6 46.65 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.53 1.144 . . . . 0.0 110.304 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 6.0 p30 -113.01 9.82 18.74 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.532 1.145 . . . . 0.0 109.295 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.544 ' CD1' ' HA ' ' A' ' 34' ' ' CYS . 6.3 t80 -65.88 -48.34 71.84 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 0.0 111.005 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.493 ' O ' ' CG ' ' A' ' 53' ' ' LEU . 11.0 mt -74.0 -37.33 64.44 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.493 1.121 . . . . 0.0 109.3 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.497 ' HA ' HD12 ' A' ' 53' ' ' LEU . 2.1 t0 -58.85 -33.1 70.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.104 . . . . 0.0 109.298 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.463 ' CD1' ' HA ' ' A' ' 22' ' ' SER . 6.1 m-85 -98.37 -30.01 12.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 111.004 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . 0.49 ' HB3' HD13 ' A' ' 55' ' ' ILE . 3.3 m -125.56 69.94 1.18 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.447 1.092 . . . . 0.0 108.308 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.497 HD12 ' HA ' ' A' ' 50' ' ' ASP . 0.2 OUTLIER -102.82 3.13 36.36 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.449 1.093 . . . . 0.0 109.284 -179.974 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -146.37 42.99 1.2 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.125 . . . . 0.0 110.326 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.49 HD13 ' HB3' ' A' ' 52' ' ' CYS . 8.5 pt -112.07 -31.1 2.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 109.316 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.1 mp -50.52 154.82 2.06 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.454 1.096 . . . . 0.0 109.321 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 148.03 34.65 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.5 1.79 . . . . 0.0 111.019 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -171.72 83.55 0.07 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 110.023 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 69.5 m -125.65 169.88 12.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 110.034 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -123.5 -76.84 0.34 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.501 1.125 . . . . 0.0 111.006 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 23.0 t 64.86 114.22 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.528 0.781 . . . . 0.0 110.064 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 1.7 mtm -55.48 170.0 0.27 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.451 1.094 . . . . 0.0 110.973 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -138.52 92.53 2.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 110.98 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -63.53 -134.19 0.01 OUTLIER Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.466 1.104 . . . . 0.0 110.976 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 170.15 161.64 21.03 Favored Glycine 0 CA--C 1.531 1.043 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 1.1 mmtt -59.62 158.17 10.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.566 0.803 . . . . 0.0 109.267 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.405 ' OD2' ' CD2' ' A' ' 68' ' ' PHE . 4.2 p-10 -92.47 -56.05 3.17 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 109.306 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.405 ' CD2' ' OD2' ' A' ' 67' ' ' ASP . 7.6 p90 -174.51 147.09 1.08 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.45 1.094 . . . . 0.0 110.989 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 26.8 m -135.29 166.52 27.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 109.288 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 65.3 t -103.92 136.37 37.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.507 1.13 . . . . 0.0 109.35 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -98.52 171.22 8.29 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.548 1.155 . . . . 0.0 110.268 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 9.1 t-80 -171.76 -61.84 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 109.601 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -45.74 153.74 0.26 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.437 1.086 . . . . 0.0 109.281 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 6.1 pttt -111.42 173.73 6.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.45 1.094 . . . . 0.0 109.298 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -153.49 161.46 42.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 108.021 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 13.5 t -102.52 163.23 12.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.145 . . . . 0.0 110.396 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -105.87 146.84 33.67 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.456 1.097 . . . . 0.0 109.344 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -177.87 3.76 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.462 1.769 . . . . 0.0 111.019 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -99.55 147.55 25.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.145 . . . . 0.0 110.037 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -81.73 160.89 41.75 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.504 1.127 . . . . 0.0 111.007 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 -177.85 3.74 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.472 1.775 . . . . 0.0 111.018 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 13.3 p -137.1 170.79 15.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.464 1.103 . . . . 0.0 110.026 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 65.23 157.56 0.1 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.553 1.158 . . . . 0.0 109.969 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.958 0 O-C-N 124.554 1.159 . . . . 0.0 111.055 179.992 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 57.8 m -154.68 154.34 32.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.44 0.729 . . . . 0.0 109.996 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -132.86 169.88 16.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.978 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -86.63 -169.68 46.14 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.505 1.128 . . . . 0.0 111.014 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -175.45 143.78 0.65 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 0.768 . . . . 0.0 109.997 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -45.62 165.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.104 . . . . 0.0 110.015 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -139.98 142.98 13.11 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.504 1.127 . . . . 0.0 111.043 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 19.9 pt -73.25 155.79 89.69 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.507 0.769 . . . . 0.0 109.315 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 110.01 3.04 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.516 1.798 . . . . 0.0 110.983 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -95.2 -84.19 1.65 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.498 1.124 . . . . 0.0 111.006 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 96.73 1.03 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.518 1.799 . . . . 0.0 110.952 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -116.37 -94.34 1.85 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.548 1.155 . . . . 0.0 110.957 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 5.9 t80 -40.91 148.2 0.11 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.489 0.758 . . . . 0.0 110.984 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 69.9 p -98.4 146.42 25.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 110.381 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -111.21 174.04 6.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.113 . . . . 0.0 109.292 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -98.88 -155.3 29.01 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.492 1.12 . . . . 0.0 111.012 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -123.3 126.01 46.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.446 0.733 . . . . 0.0 109.274 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 1.7 mm-40 -156.01 171.84 19.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 110.263 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 118.27 68.05 0.34 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.466 1.103 . . . . 0.0 110.995 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 14.0 m -128.05 151.02 49.67 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 0.752 . . . . 0.0 109.978 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.605 ' SG ' ' SG ' ' A' ' 45' ' ' CYS . 51.5 m -127.19 48.85 2.15 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 0.0 108.254 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 7.1 t -74.67 -52.29 12.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 109.993 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.408 ' C ' ' CD1' ' A' ' 23' ' ' LEU . 0.2 OUTLIER -120.49 37.05 4.38 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.501 1.126 . . . . 0.0 109.316 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.488 ' HD2' ' HB3' ' A' ' 27' ' ' ALA . 1.1 mtt180 -121.04 -93.53 0.52 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 110.282 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 50.5 m 59.31 40.06 21.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 108.297 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 172.87 51.9 0.05 OUTLIER Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.519 1.137 . . . . 0.0 111.006 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.488 ' HB3' ' HD2' ' A' ' 24' ' ' ARG . . . -152.87 164.42 37.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 0.769 . . . . 0.0 109.311 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 45.5 mt-30 -126.23 126.86 44.73 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.118 . . . . 0.0 110.297 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -128.24 177.29 7.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 109.275 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -83.37 -56.24 2.72 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.506 1.129 . . . . 0.0 111.053 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 15.4 mt -57.53 -43.68 84.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 0.777 . . . . 0.0 109.329 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.437 ' SG ' ' N ' ' A' ' 33' ' ' SER . 0.6 OUTLIER -148.14 -165.58 2.3 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 108.286 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.456 ' N ' ' O ' ' A' ' 43' ' ' THR . 5.9 t -157.37 137.26 12.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.542 1.151 . . . . 0.0 109.991 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 33.0 m -100.85 21.93 12.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.554 1.159 . . . . 0.0 108.334 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.526 ' CG ' ' HD2' ' A' ' 36' ' ' PRO . 0.1 OUTLIER -102.1 153.82 37.78 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 0.0 109.602 -179.956 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.526 ' HD2' ' CG ' ' A' ' 35' ' ' HIS . 18.2 Cg_endo -75.03 0.36 9.02 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.474 1.776 . . . . 0.0 110.978 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -93.97 -6.15 46.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 110.421 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.52 ' SG ' ' CE2' ' A' ' 48' ' ' PHE . 9.8 p -54.69 -21.02 9.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 108.29 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -70.1 -44.5 68.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.452 1.095 . . . . 0.0 110.0 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -76.24 -33.2 49.88 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.509 1.131 . . . . 0.0 110.999 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 87.9 mt -80.98 -58.91 2.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 0.77 . . . . 0.0 109.295 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 38' ' ' CYS . . . 107.45 29.56 4.43 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.484 1.115 . . . . 0.0 111.004 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.456 ' O ' ' N ' ' A' ' 33' ' ' SER . 67.7 p -119.02 41.48 3.05 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.446 0.733 . . . . 0.0 110.443 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 25.2 m -73.39 144.29 46.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 108.291 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . 0.605 ' SG ' ' SG ' ' A' ' 21' ' ' CYS . 0.8 OUTLIER -84.74 164.08 18.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 108.299 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -73.51 -28.09 61.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 110.307 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -113.04 16.16 19.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.292 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.52 ' CE2' ' SG ' ' A' ' 38' ' ' CYS . 20.8 t80 -68.97 -48.48 63.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 111.003 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.498 ' O ' ' CG ' ' A' ' 53' ' ' LEU . 9.2 mt -74.04 -34.32 64.04 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.509 1.131 . . . . 0.0 109.285 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.455 ' HA ' HD12 ' A' ' 53' ' ' LEU . 2.5 m-20 -58.69 -39.28 80.29 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.484 1.115 . . . . 0.0 109.242 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 -97.12 -23.65 16.12 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.475 1.11 . . . . 0.0 111.031 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . 0.651 ' HB3' HD13 ' A' ' 55' ' ' ILE . 1.3 m -125.25 65.64 1.14 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.557 1.161 . . . . 0.0 108.294 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.498 ' CG ' ' O ' ' A' ' 49' ' ' LEU . 0.2 OUTLIER -102.31 17.51 23.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.252 -179.972 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -167.59 42.67 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.522 1.139 . . . . 0.0 110.322 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.651 HD13 ' HB3' ' A' ' 52' ' ' CYS . 6.0 pt -110.51 -17.53 8.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.12 . . . . 0.0 109.288 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.663 HD13 ' H ' ' A' ' 56' ' ' LEU . 0.0 OUTLIER -101.34 157.37 33.8 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.427 1.079 . . . . 0.0 109.297 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 132.65 15.65 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.464 1.771 . . . . 0.0 110.973 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 32.9 m -120.2 91.72 3.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 109.962 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 73.01 -59.77 0.56 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.108 . . . . 0.0 110.042 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 75.68 122.26 0.14 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.495 1.122 . . . . 0.0 111.022 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -109.64 168.36 9.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 0.774 . . . . 0.0 109.977 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 2.1 mtp -124.0 166.0 16.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 110.971 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.47 96.25 0.51 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.44 1.088 . . . . 0.0 111.006 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -172.53 176.82 45.37 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.535 1.147 . . . . 0.0 111.003 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 167.91 159.01 12.67 Favored Glycine 0 CA--C 1.53 0.973 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.57 146.98 25.65 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.451 0.736 . . . . 0.0 109.297 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 14.8 t0 -165.74 161.5 18.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.263 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 6.2 t80 -122.95 166.97 14.18 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.137 . . . . 0.0 110.993 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 7.4 p -162.41 148.5 4.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.46 1.1 . . . . 0.0 109.335 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 3.7 p -136.31 143.09 36.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 109.241 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 11.7 tt0 -124.06 169.27 11.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 110.303 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 76.2 m-70 -141.02 174.33 10.62 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.116 . . . . 0.0 109.609 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -130.67 175.91 8.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.459 1.099 . . . . 0.0 109.31 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 2.4 tttt -109.92 171.72 7.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.346 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . 79.4 m95 -136.24 155.4 50.16 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 108.005 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 18.5 m -99.23 157.26 16.51 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.515 1.135 . . . . 0.0 110.39 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 2.2 p-10 -107.89 146.02 32.59 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.153 . . . . 0.0 109.341 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 173.81 13.88 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.449 1.763 . . . . 0.0 110.983 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.4 t -106.63 168.75 8.96 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.561 1.163 . . . . 0.0 110.009 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -93.12 158.05 23.65 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.451 1.094 . . . . 0.0 111.026 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -55.47 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.492 1.785 . . . . 0.0 110.978 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 9.6 t 63.49 134.7 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 110.006 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 6.7 m -152.03 171.29 18.07 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 110.026 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.974 0 O-C-N 124.552 1.157 . . . . 0.0 110.997 179.992 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.989 0 N-CA-C 111.055 -0.818 . . . . 0.0 111.055 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.0 t -154.57 164.66 38.36 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 0.753 . . . . 0.0 109.996 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 85.0 p -165.61 157.66 14.82 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.519 1.137 . . . . 0.0 109.998 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -138.13 -165.28 10.28 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.555 1.16 . . . . 0.0 110.961 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.9 m -158.63 161.82 37.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 0.782 . . . . 0.0 109.978 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -139.03 169.62 17.46 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.11 . . . . 0.0 110.008 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -106.28 175.13 20.99 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.472 1.108 . . . . 0.0 111.041 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 1.1 pt -143.39 156.6 60.56 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.501 0.765 . . . . 0.0 109.292 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 141.43 26.6 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.494 1.786 . . . . 0.0 110.954 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -112.69 97.16 0.87 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.513 1.133 . . . . 0.0 111.015 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 175.17 11.6 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.506 1.792 . . . . 0.0 110.986 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -94.45 -135.0 7.67 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.533 1.146 . . . . 0.0 110.993 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 33.9 t80 -154.87 110.2 3.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 0.763 . . . . 0.0 110.999 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 4.2 m 63.41 119.66 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 110.417 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -100.09 156.29 17.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.118 . . . . 0.0 109.298 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 149.42 -71.53 0.3 Allowed Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.529 1.143 . . . . 0.0 110.983 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -144.93 121.01 10.75 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.547 0.792 . . . . 0.0 109.279 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -153.06 171.75 17.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 110.299 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 113.68 74.38 0.64 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.482 1.114 . . . . 0.0 111.007 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.8 p -128.05 151.06 49.63 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.519 0.776 . . . . 0.0 110.003 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 66.3 m -124.12 57.76 1.21 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 108.297 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.543 ' HA ' ' CD2' ' A' ' 51' ' ' TYR . 23.2 t -77.53 -50.2 13.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 109.997 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.468 HD23 ' C ' ' A' ' 23' ' ' LEU . 0.4 OUTLIER -122.85 27.92 7.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 109.292 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.78 ' HD2' ' HB3' ' A' ' 27' ' ' ALA . 1.2 mtt180 -109.55 -95.58 0.41 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 110.315 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 34.2 m 59.14 38.8 23.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 108.33 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 34' ' ' CYS . . . 165.08 55.44 0.02 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.504 1.128 . . . . 0.0 111.01 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.78 ' HB3' ' HD2' ' A' ' 24' ' ' ARG . . . -151.51 167.71 27.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 0.757 . . . . 0.0 109.261 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 3.6 mt-30 -126.14 126.85 44.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.135 . . . . 0.0 110.29 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -128.63 177.43 7.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.44 1.087 . . . . 0.0 109.298 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -83.98 -51.61 3.93 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.481 1.113 . . . . 0.0 111.015 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.7 mp -62.09 -44.91 95.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 0.771 . . . . 0.0 109.306 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.448 ' SG ' ' N ' ' A' ' 33' ' ' SER . 1.7 p -147.24 -159.38 1.02 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 108.322 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.448 ' N ' ' SG ' ' A' ' 32' ' ' CYS . 19.7 t -163.97 137.65 5.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.448 1.092 . . . . 0.0 110.013 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.44 ' O ' ' N ' ' A' ' 26' ' ' GLY . 36.8 m -101.2 28.62 5.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.54 1.15 . . . . 0.0 108.29 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.521 ' CG ' ' HD2' ' A' ' 36' ' ' PRO . 0.2 OUTLIER -108.06 151.15 41.2 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.13 . . . . 0.0 109.605 179.98 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.521 ' HD2' ' CG ' ' A' ' 35' ' ' HIS . 18.1 Cg_endo -75.07 -4.64 15.68 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.49 1.784 . . . . 0.0 110.944 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.722 ' O ' HD12 ' A' ' 41' ' ' LEU . 38.0 p -91.89 -2.42 56.84 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 0.0 110.437 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.423 ' O ' ' N ' ' A' ' 42' ' ' GLY . 28.5 p -69.78 -12.09 61.36 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 108.308 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 12.4 t -71.25 -44.2 65.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 110.014 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -76.07 -34.06 48.12 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.513 1.133 . . . . 0.0 110.969 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.722 HD12 ' O ' ' A' ' 37' ' ' THR . 1.3 mt -81.08 -56.44 4.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 0.762 . . . . 0.0 109.279 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.423 ' N ' ' O ' ' A' ' 38' ' ' CYS . . . 105.21 38.47 2.46 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.526 1.141 . . . . 0.0 111.004 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.439 ' O ' ' N ' ' A' ' 33' ' ' SER . 41.8 p -117.03 20.49 13.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 0.762 . . . . 0.0 110.366 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 39.5 m -63.26 146.62 53.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.106 . . . . 0.0 108.314 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -82.98 166.18 19.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 108.267 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -75.57 -28.13 58.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.139 . . . . 0.0 110.312 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -113.07 16.84 19.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 109.297 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.465 ' O ' ' N ' ' A' ' 52' ' ' CYS . 15.5 t80 -68.18 -48.12 66.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 111.026 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.479 ' O ' ' CB ' ' A' ' 53' ' ' LEU . 6.4 mt -73.63 -36.52 65.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 0.0 109.239 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.444 ' HA ' HD12 ' A' ' 53' ' ' LEU . 1.1 m-20 -58.8 -39.33 80.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 109.32 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.543 ' CD2' ' HA ' ' A' ' 22' ' ' SER . 8.0 m-85 -93.82 -25.34 17.41 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.457 1.098 . . . . 0.0 111.017 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . 0.468 ' HB3' HG21 ' A' ' 55' ' ' ILE . 1.8 m -125.96 65.32 1.2 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.45 1.094 . . . . 0.0 108.291 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.479 ' CB ' ' O ' ' A' ' 49' ' ' LEU . 0.3 OUTLIER -99.73 30.08 3.82 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.14 . . . . 0.0 109.295 179.975 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 -174.48 39.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.453 1.096 . . . . 0.0 110.311 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.468 HG21 ' HB3' ' A' ' 52' ' ' CYS . 5.4 pt -111.48 -30.37 2.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.446 1.092 . . . . 0.0 109.258 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.41 ' N ' HG13 ' A' ' 55' ' ' ILE . 1.1 mt -42.57 102.01 0.26 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.295 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 164.66 32.9 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.549 1.815 . . . . 0.0 110.972 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 3.0 t -142.09 87.67 2.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.441 1.088 . . . . 0.0 109.991 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -47.4 -59.88 2.9 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 109.966 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -139.81 -107.25 0.71 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.503 1.127 . . . . 0.0 111.026 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 12.1 p -124.08 -48.11 1.88 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 0.75 . . . . 0.0 110.012 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -141.03 113.64 8.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.118 . . . . 0.0 110.984 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -104.48 105.6 15.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.125 . . . . 0.0 110.996 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -160.34 179.72 35.67 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.464 1.103 . . . . 0.0 110.997 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 139.35 106.51 0.69 Allowed Glycine 0 CA--C 1.531 1.033 0 N-CA-C 110.952 -0.859 . . . . 0.0 110.952 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -125.36 94.03 4.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 0.772 . . . . 0.0 109.305 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -87.5 126.52 34.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.452 1.095 . . . . 0.0 109.294 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -150.19 128.95 12.41 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.125 . . . . 0.0 111.019 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.452 ' O ' HG13 ' A' ' 69' ' ' VAL . 10.9 p -171.89 116.98 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 109.322 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.7 m -143.67 113.13 2.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 109.324 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 20.4 pt20 -150.94 132.98 15.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.111 . . . . 0.0 110.327 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 177.98 132.47 0.07 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.424 1.077 . . . . 0.0 109.606 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -165.56 85.19 0.36 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 109.274 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 1.5 mttp -169.62 132.19 1.18 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.125 . . . . 0.0 109.298 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' TRP . . . . . 0.478 ' CE3' ' HA ' ' A' ' 75' ' ' TRP . 0.4 OUTLIER -177.01 115.24 0.1 Allowed 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 8.7 t -170.01 137.81 1.64 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.145 . . . . 0.0 110.363 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 176.43 99.86 0.11 Allowed Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.445 1.09 . . . . 0.0 109.304 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.92 178.43 7.24 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.488 1.783 . . . . 0.0 110.982 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 3.7 m -157.53 165.21 36.21 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.136 . . . . 0.0 109.965 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -172.33 94.82 0.1 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.473 1.108 . . . . 0.0 110.994 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -179.14 4.7 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.525 1.803 . . . . 0.0 110.985 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 28.2 p -174.32 168.68 3.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 109.977 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 10.5 p -176.98 166.6 2.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 110.036 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 O-C-N 124.474 1.109 . . . . 0.0 111.018 -179.994 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.976 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -162.56 131.36 4.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 0.768 . . . . 0.0 109.987 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.6 t -133.65 127.84 33.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.103 . . . . 0.0 110.024 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -118.92 170.31 13.8 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.555 1.159 . . . . 0.0 111.034 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 80.1 p -124.67 138.13 54.32 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 0.781 . . . . 0.0 109.966 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 42.1 p -114.29 118.13 33.06 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.102 . . . . 0.0 109.949 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -104.72 68.26 0.27 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.519 1.137 . . . . 0.0 111.008 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -129.2 77.24 77.99 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.541 0.789 . . . . 0.0 109.297 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 -178.44 4.15 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.537 1.809 . . . . 0.0 111.011 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -46.17 124.27 7.43 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.494 1.121 . . . . 0.0 111.001 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 117.52 4.94 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.533 1.807 . . . . 0.0 110.991 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -167.67 111.8 0.46 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.516 1.135 . . . . 0.0 111.015 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -66.05 145.23 56.1 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.517 0.775 . . . . 0.0 111.008 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 6.3 t -39.46 154.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.097 . . . . 0.0 110.374 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -169.33 67.24 0.06 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.305 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 88.87 123.31 2.16 Favored Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.513 1.133 . . . . 0.0 110.999 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.41 139.49 58.78 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.523 0.778 . . . . 0.0 109.308 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 4.1 pm0 -102.79 -177.84 3.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 110.344 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 121.15 52.9 0.23 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.517 1.135 . . . . 0.0 110.992 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -124.72 150.95 45.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.549 0.793 . . . . 0.0 109.998 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.674 ' SG ' ' SG ' ' A' ' 45' ' ' CYS . 65.8 m -118.53 54.05 0.96 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.137 . . . . 0.0 108.304 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.558 ' HA ' ' CD2' ' A' ' 51' ' ' TYR . 58.3 p -55.74 -68.49 0.2 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 109.961 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.8 HD22 ' C ' ' A' ' 23' ' ' LEU . 0.0 OUTLIER -113.6 -13.32 12.75 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.464 1.103 . . . . 0.0 109.309 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.717 ' HD2' ' HB3' ' A' ' 27' ' ' ALA . 0.4 OUTLIER -50.03 -94.2 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.504 1.127 . . . . 0.0 110.333 -179.969 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 57.8 m 59.16 40.05 22.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.141 . . . . 0.0 108.346 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.437 ' N ' ' O ' ' A' ' 34' ' ' CYS . . . 166.79 54.49 0.03 OUTLIER Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.524 1.14 . . . . 0.0 110.994 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.717 ' HB3' ' HD2' ' A' ' 24' ' ' ARG . . . -152.78 167.32 29.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 0.779 . . . . 0.0 109.334 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 53.8 mt-30 -126.37 126.9 44.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.115 . . . . 0.0 110.276 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -128.34 178.03 6.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.139 . . . . 0.0 109.341 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -84.63 -51.53 3.83 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.517 1.136 . . . . 0.0 111.041 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.665 HD22 ' H ' ' A' ' 31' ' ' LEU . 1.5 mm? -63.21 -46.18 88.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.455 0.738 . . . . 0.0 109.309 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.423 ' SG ' ' N ' ' A' ' 33' ' ' SER . 0.6 OUTLIER -144.05 -167.0 2.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 108.264 179.986 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.432 ' N ' ' O ' ' A' ' 43' ' ' THR . 4.9 t -156.57 136.35 12.52 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 110.007 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.437 ' O ' ' N ' ' A' ' 26' ' ' GLY . 19.9 m -104.23 21.99 15.58 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.447 1.092 . . . . 0.0 108.266 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.518 ' CG ' ' HD2' ' A' ' 36' ' ' PRO . 0.1 OUTLIER -95.64 153.16 39.49 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.115 . . . . 0.0 109.572 -179.993 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.518 ' HD2' ' CG ' ' A' ' 35' ' ' HIS . 18.3 Cg_endo -75.0 -16.11 20.37 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.472 1.775 . . . . 0.0 110.989 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.596 ' O ' HD12 ' A' ' 41' ' ' LEU . 51.9 p -94.17 7.46 45.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 110.421 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 18.7 p -70.31 -18.28 63.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 108.281 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 58.6 p -71.25 -37.82 71.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.546 1.154 . . . . 0.0 110.034 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -75.73 -23.22 73.15 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.486 1.116 . . . . 0.0 111.03 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.596 HD12 ' O ' ' A' ' 37' ' ' THR . 1.6 mt -92.81 -51.66 4.98 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.532 0.783 . . . . 0.0 109.314 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 102.75 35.46 3.76 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.486 1.116 . . . . 0.0 110.983 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.432 ' O ' ' N ' ' A' ' 33' ' ' SER . 38.7 p -117.69 15.08 14.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 0.777 . . . . 0.0 110.341 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 59.9 m -59.16 148.57 31.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 108.284 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . 0.674 ' SG ' ' SG ' ' A' ' 21' ' ' CYS . 0.0 OUTLIER -86.46 161.85 18.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 108.26 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -73.29 -23.18 60.26 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.418 1.074 . . . . 0.0 110.276 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -112.15 15.37 20.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.125 . . . . 0.0 109.278 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.47 ' O ' ' N ' ' A' ' 52' ' ' CYS . 19.7 t80 -69.0 -48.16 63.77 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 0.0 111.05 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.478 ' O ' ' CB ' ' A' ' 53' ' ' LEU . 5.8 mt -73.82 -37.16 64.95 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.536 1.148 . . . . 0.0 109.289 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -58.81 -40.0 82.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.12 . . . . 0.0 109.321 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.558 ' CD2' ' HA ' ' A' ' 22' ' ' SER . 16.7 m-85 -92.71 -25.77 18.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.143 . . . . 0.0 110.994 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . 0.47 ' N ' ' O ' ' A' ' 48' ' ' PHE . 1.7 m -124.98 64.57 1.13 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 108.323 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.478 ' CB ' ' O ' ' A' ' 49' ' ' LEU . 0.3 OUTLIER -98.97 30.51 3.36 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.56 1.162 . . . . 0.0 109.282 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -168.94 31.61 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.448 1.093 . . . . 0.0 110.302 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.412 HG21 ' HB3' ' A' ' 52' ' ' CYS . 6.4 pt -110.79 -27.95 2.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 109.331 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.401 HD23 ' HA ' ' A' ' 56' ' ' LEU . 30.7 mt -48.75 154.88 1.12 Allowed Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 109.304 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 129.01 11.97 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.483 1.781 . . . . 0.0 111.0 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.8 p -108.09 106.36 16.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 0.0 110.037 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 4.8 t -105.76 138.12 42.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 0.0 110.006 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -156.59 88.81 0.12 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.487 1.117 . . . . 0.0 111.0 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 28.1 m -153.22 98.11 2.24 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.462 0.743 . . . . 0.0 110.012 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 57.92 87.86 0.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 111.012 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 1.4 mtp -77.86 -54.48 6.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 111.035 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -112.83 -137.4 6.89 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.517 1.135 . . . . 0.0 111.016 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -112.15 70.04 0.22 Allowed Glycine 0 CA--C 1.53 1.015 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.6 107.67 10.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 0.769 . . . . 0.0 109.326 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -148.55 165.17 32.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 109.279 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 31.4 p90 -116.73 165.03 13.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 110.98 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 9.9 p -116.96 148.66 19.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.556 1.16 . . . . 0.0 109.288 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 8.1 p -156.1 163.08 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 0.0 109.308 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 11.6 pt20 -159.58 168.86 25.08 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.539 1.149 . . . . 0.0 110.31 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 19.9 m80 -146.01 155.52 42.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.447 1.092 . . . . 0.0 109.642 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 6.6 mp -89.46 175.08 7.44 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.514 1.134 . . . . 0.0 109.315 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 1.1 mmtp -173.86 169.0 4.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 0.0 109.305 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . 2.3 p-90 -124.33 160.48 27.97 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 13.5 t -168.27 165.85 12.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 110.385 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -136.3 99.89 10.68 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.562 1.164 . . . . 0.0 109.321 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 178.76 6.81 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.521 1.801 . . . . 0.0 111.006 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -147.48 171.79 14.97 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 109.993 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -152.55 93.26 0.14 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.471 1.107 . . . . 0.0 110.968 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 179.1 6.42 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.447 1.761 . . . . 0.0 111.03 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 31.9 p -132.54 175.21 9.51 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.5 1.125 . . . . 0.0 110.04 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 50.5 m -160.95 168.71 24.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.966 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 O-C-N 124.538 1.149 . . . . 0.0 110.953 179.991 . . . . . . . . 0 0 . 1 stop_ save_