data_2nsw_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 2nsw _Structure_validation_residue.Date_analyzed 2016-10-08 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -54.45 -32.09 56.9 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 110.282 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -74.21 -12.07 60.47 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.45 1.094 . . . . 0.0 109.269 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . 0.517 ' CG ' HG21 ' A' ' 44' ' ' VAL . 16.7 m-85 -121.12 15.69 11.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.133 . . . . 0.0 111.003 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . 0.536 ' CG ' ' HB3' ' A' ' 17' ' ' SER . 5.9 t80 -77.93 136.6 38.04 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.128 . . . . 0.0 111.025 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' THR . . . . . 0.411 ' OG1' ' O ' ' A' ' 7' ' ' THR . 9.9 p -117.76 87.98 2.82 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.546 1.154 . . . . 0.0 110.402 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 27.9 t -72.65 -3.18 23.36 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.465 1.103 . . . . 0.0 110.035 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -74.83 -44.62 48.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.143 . . . . 0.0 110.33 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' THR . . . . . 0.489 ' CG2' ' O ' ' A' ' 38' ' ' GLN . 0.1 OUTLIER -103.35 -25.33 13.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.561 1.163 . . . . 0.0 110.392 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.449 ' SG ' ' CB ' ' A' ' 20' ' ' ALA . 21.7 t -64.34 136.39 96.74 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 108.315 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.41 ' HD2' ' SG ' ' A' ' 11' ' ' CYS . 18.2 Cg_endo -75.03 -5.48 16.84 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.476 1.777 . . . . 0.0 110.98 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 86.4 m-85 -115.62 130.67 56.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 110.973 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.53 31.41 6.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 109.335 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 4.6 t30 -101.12 -54.83 2.7 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.472 1.108 . . . . 0.0 109.294 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -165.17 158.98 17.1 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.471 1.107 . . . . 0.0 109.302 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.536 ' HB3' ' CG ' ' A' ' 6' ' ' TYR . 58.4 p -71.38 -30.77 66.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.564 1.165 . . . . 0.0 110.038 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.434 ' O ' ' N ' ' A' ' 22' ' ' ASP . 45.4 mt-30 -67.04 -27.31 67.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 110.261 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 51.7 tp -67.6 -65.17 0.72 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 109.308 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.449 ' CB ' ' SG ' ' A' ' 11' ' ' CYS . . . -55.75 -34.26 65.03 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 0.0 109.27 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' TRP . . . . . 0.557 ' HB2' ' CZ ' ' A' ' 40' ' ' PHE . 5.2 t-105 -72.2 -40.05 68.15 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 107.988 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.434 ' N ' ' O ' ' A' ' 18' ' ' GLN . 8.8 m-20 -64.97 -14.34 59.9 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.104 . . . . 0.0 109.273 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -89.02 -65.66 1.0 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 110.4 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.413 ' O ' ' CB ' ' A' ' 31' ' ' CYS . 0.0 OUTLIER -65.1 -68.38 0.37 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.452 1.095 . . . . 0.0 108.301 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.469 ' OG ' ' CD2' ' A' ' 21' ' ' TRP . 0.0 OUTLIER -80.52 52.41 1.64 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 110.05 179.969 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.964 0 O-C-N 124.513 1.133 . . . . 0.0 111.055 179.958 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.413 ' CB ' ' O ' ' A' ' 24' ' ' CYS . 0.8 OUTLIER -73.71 154.0 39.83 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 108.323 179.971 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 158.78 -176.04 35.71 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.52 1.137 . . . . 0.0 110.975 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.404 ' O ' ' SG ' ' A' ' 36' ' ' CYS . 90.7 m -84.52 -4.52 59.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 0.771 . . . . 0.0 110.434 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.446 ' O ' ' HB2' ' A' ' 38' ' ' GLN . 59.6 t -73.89 -44.04 51.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.113 . . . . 0.0 109.286 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . 0.404 ' C ' ' SG ' ' A' ' 48' ' ' CYS . 0.0 OUTLIER -63.02 -14.76 51.89 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 108.325 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.535 ' SG ' ' N ' ' A' ' 37' ' ' GLY . 0.5 OUTLIER -56.03 -52.54 63.88 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.534 1.146 . . . . 0.0 108.298 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.535 ' N ' ' SG ' ' A' ' 36' ' ' CYS . . . -113.64 41.04 2.31 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.49 1.119 . . . . 0.0 111.034 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.489 ' O ' ' CG2' ' A' ' 10' ' ' THR . 0.7 OUTLIER -118.45 -53.28 2.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 0.763 . . . . 0.0 110.335 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 75.3 m -109.79 -21.94 12.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 108.287 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.557 ' CZ ' ' HB2' ' A' ' 21' ' ' TRP . 1.1 m-85 -135.39 -175.52 3.96 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 111.056 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.506 ' O ' ' HB ' ' A' ' 44' ' ' VAL . 2.1 m -152.65 156.67 39.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.993 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.672 ' CD2' ' HA ' ' A' ' 43' ' ' PRO . 0.2 OUTLIER -53.53 154.07 6.89 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.11 . . . . 0.0 110.996 179.969 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.672 ' HA ' ' CD2' ' A' ' 42' ' ' PHE . 18.2 Cg_endo -75.07 8.02 10.6 Favored 'Cis proline' 0 C--N 1.36 1.178 0 C-N-CA 121.004 -2.499 . . . . 0.0 110.979 0.061 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.517 HG21 ' CG ' ' A' ' 5' ' ' PHE . 2.2 t -70.53 -39.15 75.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.122 . . . . 0.0 109.307 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.482 ' HB3' ' N ' ' A' ' 42' ' ' PHE . 0.4 OUTLIER -51.4 -21.61 2.42 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.105 . . . . 0.0 110.011 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.583 ' HB2' ' CE1' ' A' ' 42' ' ' PHE . 4.7 tp-100 -77.98 -31.51 50.8 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.437 1.085 . . . . 0.0 110.314 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' SER . . . . . 0.418 ' N ' ' O ' ' A' ' 44' ' ' VAL . 1.5 m -75.9 -38.33 57.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.127 . . . . 0.0 109.982 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . 0.404 ' SG ' ' C ' ' A' ' 35' ' ' CYS . 0.1 OUTLIER -59.14 -55.14 38.79 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.491 1.119 . . . . 0.0 108.268 -179.951 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -73.78 -4.71 36.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 109.268 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -93.75 -50.93 2.22 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.498 1.124 . . . . 0.0 110.971 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' MET . . . . . 0.453 ' SD ' ' CZ2' ' A' ' 21' ' ' TRP . 0.3 OUTLIER -85.76 14.64 5.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 0.754 . . . . 0.0 110.999 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 109.326 179.955 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.349 -0.611 . . . . 0.0 109.349 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.98 -29.77 44.31 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.515 1.134 . . . . 0.0 110.269 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -74.58 -5.97 45.9 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.475 1.109 . . . . 0.0 109.272 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . 0.501 ' CG ' HG23 ' A' ' 44' ' ' VAL . 17.7 m-85 -126.61 15.58 7.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 111.014 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -77.78 106.53 9.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.142 . . . . 0.0 111.032 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' THR . . . . . 0.417 ' OG1' ' O ' ' A' ' 7' ' ' THR . 8.9 p -92.15 87.13 6.0 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.139 . . . . 0.0 110.425 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 31.3 t -70.76 -5.2 28.26 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 110.02 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.12 -49.67 34.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.577 1.173 . . . . 0.0 110.305 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' THR . . . . . 0.496 ' CG2' ' O ' ' A' ' 38' ' ' GLN . 0.1 OUTLIER -96.79 -26.4 15.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 110.383 -179.961 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.415 ' SG ' ' HD2' ' A' ' 12' ' ' PRO . 11.3 t -64.49 136.6 96.83 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.13 . . . . 0.0 108.321 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.415 ' HD2' ' SG ' ' A' ' 11' ' ' CYS . 18.3 Cg_endo -75.07 -8.54 20.08 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.554 1.818 . . . . 0.0 111.01 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 95.8 m-85 -110.62 142.64 42.2 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 110.974 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.426 ' HD3' ' N ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -134.69 28.57 3.59 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 1.109 . . . . 0.0 109.309 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 12.9 t30 -100.71 -54.4 2.84 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 109.312 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -163.01 152.01 14.78 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.486 1.116 . . . . 0.0 109.301 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 79.3 p -66.48 -34.56 78.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 110.054 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 45.1 tt0 -65.68 -22.08 66.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 110.271 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 57.7 tp -71.72 -62.14 1.53 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 109.281 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.412 ' CB ' ' SG ' ' A' ' 11' ' ' CYS . . . -57.86 -33.36 68.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 109.299 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' TRP . . . . . 0.544 ' CE3' ' OG ' ' A' ' 25' ' ' SER . 4.8 t-105 -71.94 -38.42 69.82 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.14 . . . . 0.0 108.006 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -64.93 -12.11 45.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 109.265 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.402 ' CG2' ' OD1' ' A' ' 30' ' ' ASN . 0.8 OUTLIER -89.49 -62.98 1.35 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 0.0 110.37 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.433 ' SG ' ' N ' ' A' ' 25' ' ' SER . 0.0 OUTLIER -73.36 -71.61 0.3 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 0.0 108.314 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.544 ' OG ' ' CE3' ' A' ' 21' ' ' TRP . 0.1 OUTLIER -80.54 52.68 1.7 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 110.0 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.969 0 O-C-N 124.46 1.1 . . . . 0.0 111.027 179.972 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . 0.402 ' OD1' ' CG2' ' A' ' 23' ' ' THR . 13.4 p30 . . . . . 0 N--CA 1.454 -0.268 0 N-CA-C 109.295 -0.632 . . . . 0.0 109.295 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.406 ' SG ' ' O ' ' A' ' 52' ' ' ALA . 1.8 p -70.71 147.47 49.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 108.265 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 166.92 -177.83 41.46 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.51 1.131 . . . . 0.0 111.013 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.413 ' O ' ' SG ' ' A' ' 36' ' ' CYS . 41.0 m -84.6 -4.26 58.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 0.784 . . . . 0.0 110.404 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.439 ' O ' ' HB2' ' A' ' 38' ' ' GLN . 93.6 t -73.76 -42.92 54.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.249 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -62.73 -15.29 52.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.449 1.093 . . . . 0.0 108.262 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.542 ' SG ' ' N ' ' A' ' 37' ' ' GLY . 0.5 OUTLIER -55.23 -53.16 59.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 108.269 -179.954 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.542 ' N ' ' SG ' ' A' ' 36' ' ' CYS . . . -113.96 43.25 1.74 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.48 1.113 . . . . 0.0 111.033 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.496 ' O ' ' CG2' ' A' ' 10' ' ' THR . 2.3 tt0 -120.3 -52.11 2.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 0.752 . . . . 0.0 110.241 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 88.9 m -111.76 -20.94 11.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 108.339 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.52 ' CZ ' ' HB2' ' A' ' 21' ' ' TRP . 1.1 m-85 -135.76 -178.61 5.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.103 . . . . 0.0 111.05 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.512 ' O ' ' HB ' ' A' ' 44' ' ' VAL . 0.0 OUTLIER -149.63 157.02 42.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 110.039 179.961 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.665 ' CD2' ' HA ' ' A' ' 43' ' ' PRO . 0.2 OUTLIER -54.01 154.31 7.77 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.54 1.15 . . . . 0.0 110.966 -179.968 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.665 ' HA ' ' CD2' ' A' ' 42' ' ' PHE . 18.4 Cg_endo -74.93 8.29 10.03 Favored 'Cis proline' 0 C--N 1.36 1.152 0 C-N-CA 121.033 -2.486 . . . . 0.0 111.012 -0.061 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.512 ' HB ' ' O ' ' A' ' 41' ' ' SER . 2.2 t -70.68 -39.35 75.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.444 1.09 . . . . 0.0 109.308 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.476 ' H ' ' C ' ' A' ' 41' ' ' SER . 0.6 OUTLIER -52.03 -25.34 8.29 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.492 1.12 . . . . 0.0 110.019 179.976 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.561 ' HB2' ' CE1' ' A' ' 42' ' ' PHE . 16.8 tt0 -74.91 -30.41 61.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 110.267 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.4 m -76.14 -39.94 53.84 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.532 1.145 . . . . 0.0 110.014 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -54.01 -60.21 3.63 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.552 1.158 . . . . 0.0 108.304 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.54 -15.97 61.83 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.113 . . . . 0.0 109.294 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -81.19 -54.44 3.56 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.548 1.155 . . . . 0.0 111.012 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' MET . . . . . 0.402 ' HB3' ' CB ' ' A' ' 25' ' ' SER . 1.0 OUTLIER -85.48 15.0 4.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 0.771 . . . . 0.0 110.975 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.406 ' O ' ' SG ' ' A' ' 31' ' ' CYS . . . . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.543 1.152 . . . . 0.0 109.286 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.271 -0.641 . . . . 0.0 109.271 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.08 -31.87 53.08 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 110.266 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 22.6 m-20 -74.31 -4.25 35.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 109.334 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . 0.522 ' CG ' HG23 ' A' ' 44' ' ' VAL . 11.7 m-85 -128.84 17.93 6.21 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 110.971 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . 0.52 ' CG ' ' HB3' ' A' ' 17' ' ' SER . 2.5 t80 -78.46 118.18 20.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.098 . . . . 0.0 110.984 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' THR . . . . . 0.405 ' O ' ' HB2' ' A' ' 11' ' ' CYS . 65.4 p -103.41 83.54 2.19 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.109 . . . . 0.0 110.424 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.4 t -65.3 -10.03 29.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 109.997 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -69.8 -57.96 4.46 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.547 1.154 . . . . 0.0 110.295 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' THR . . . . . 0.523 ' CG2' ' O ' ' A' ' 38' ' ' GLN . 0.2 OUTLIER -85.35 -29.35 24.54 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.48 1.113 . . . . 0.0 110.364 -179.968 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.456 ' SG ' ' CB ' ' A' ' 20' ' ' ALA . 6.7 t -64.22 137.27 97.07 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 108.252 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.558 ' HG2' ' CE2' ' A' ' 13' ' ' TYR . 18.3 Cg_endo -75.0 -12.07 21.49 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.489 1.784 . . . . 0.0 111.04 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.571 ' CD1' HD13 ' A' ' 19' ' ' LEU . 50.6 m-85 -117.02 139.1 51.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.118 . . . . 0.0 110.966 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.96 32.03 4.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.288 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 4.8 t-20 -98.0 -42.85 7.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 109.302 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -165.24 151.33 9.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.566 1.166 . . . . 0.0 109.295 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.52 ' HB3' ' CG ' ' A' ' 6' ' ' TYR . 37.6 p -70.81 -35.53 72.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 110.034 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 96.0 mt-30 -72.89 -23.64 60.74 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 110.284 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.571 HD13 ' CD1' ' A' ' 13' ' ' TYR . 0.4 OUTLIER -64.33 -59.55 4.24 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.525 1.141 . . . . 0.0 109.333 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.456 ' CB ' ' SG ' ' A' ' 11' ' ' CYS . . . -59.93 -34.62 73.47 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.474 1.109 . . . . 0.0 109.302 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' TRP . . . . . 0.549 ' CD2' ' OG ' ' A' ' 25' ' ' SER . 2.7 t-105 -67.37 -40.56 85.74 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 107.998 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -64.46 -13.56 52.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.31 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -89.05 -50.52 6.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 110.361 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.506 ' O ' ' CB ' ' A' ' 31' ' ' CYS . 0.0 OUTLIER -83.99 -70.97 0.53 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.507 1.13 . . . . 0.0 108.276 -179.972 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.549 ' OG ' ' CD2' ' A' ' 21' ' ' TRP . 0.0 OUTLIER -79.92 52.1 1.44 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 109.98 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 O-C-N 124.556 1.16 . . . . 0.0 110.982 179.952 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 26.9 p30 . . . . . 0 N--CA 1.452 -0.349 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.506 ' CB ' ' O ' ' A' ' 24' ' ' CYS . 12.8 p -63.06 130.97 46.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 108.312 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 175.14 -175.89 47.16 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.531 1.144 . . . . 0.0 110.992 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.408 ' O ' ' SG ' ' A' ' 36' ' ' CYS . 95.7 m -84.5 -4.94 59.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 0.767 . . . . 0.0 110.392 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.426 ' O ' ' HB2' ' A' ' 38' ' ' GLN . 53.1 t -74.52 -41.4 49.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.52 1.138 . . . . 0.0 109.289 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . 0.413 ' C ' ' SG ' ' A' ' 48' ' ' CYS . 0.0 OUTLIER -62.91 -14.75 50.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.135 . . . . 0.0 108.267 -179.981 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.533 ' SG ' ' N ' ' A' ' 37' ' ' GLY . 0.6 OUTLIER -54.34 -52.7 60.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 108.29 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.533 ' N ' ' SG ' ' A' ' 36' ' ' CYS . . . -113.98 40.32 2.53 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.492 1.12 . . . . 0.0 110.969 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.523 ' O ' ' CG2' ' A' ' 10' ' ' THR . 5.5 tp60 -120.74 -45.07 2.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 0.757 . . . . 0.0 110.322 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.419 ' HB2' ' CE1' ' A' ' 40' ' ' PHE . 55.4 m -114.16 -26.0 8.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 108.264 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.544 ' CZ ' ' HB2' ' A' ' 21' ' ' TRP . 0.4 OUTLIER -135.43 -173.02 3.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.465 1.103 . . . . 0.0 111.014 -179.968 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.492 ' O ' ' HB ' ' A' ' 44' ' ' VAL . 2.3 m -151.29 157.26 42.32 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.537 1.148 . . . . 0.0 110.042 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.639 ' CG ' ' HA ' ' A' ' 43' ' ' PRO . 0.1 OUTLIER -55.43 155.79 9.41 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 110.982 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.639 ' HA ' ' CG ' ' A' ' 42' ' ' PHE . 18.5 Cg_endo -74.97 8.74 9.73 Favored 'Cis proline' 0 C--N 1.36 1.149 0 C-N-CA 121.025 -2.489 . . . . 0.0 111.037 -0.063 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.522 HG23 ' CG ' ' A' ' 5' ' ' PHE . 2.1 t -71.53 -39.07 70.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.435 1.084 . . . . 0.0 109.303 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.543 ' HB3' ' N ' ' A' ' 42' ' ' PHE . 0.1 OUTLIER -51.22 -22.77 2.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 0.0 110.053 179.969 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.564 ' HB2' ' CE1' ' A' ' 42' ' ' PHE . 6.1 tt0 -76.04 -31.94 59.09 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.518 1.137 . . . . 0.0 110.283 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.5 m -76.25 -36.53 58.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.151 . . . . 0.0 109.985 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . 0.413 ' SG ' ' C ' ' A' ' 35' ' ' CYS . 0.1 OUTLIER -60.14 -52.92 63.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 108.313 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -77.22 -0.04 23.71 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.437 1.086 . . . . 0.0 109.301 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -99.89 -47.07 1.81 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.467 1.104 . . . . 0.0 110.987 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' MET . . . . . 0.52 ' CB ' ' CZ2' ' A' ' 21' ' ' TRP . 1.0 OUTLIER -85.83 10.88 12.47 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 0.768 . . . . 0.0 111.042 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 109.325 179.957 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . 0.423 ' HG2' ' N ' ' A' ' 4' ' ' ASP . 4.2 pm0 -54.41 -31.21 54.62 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.458 1.099 . . . . 0.0 110.364 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . 0.423 ' N ' ' HG2' ' A' ' 3' ' ' GLU . 0.2 OUTLIER -74.53 -13.23 60.65 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.52 1.138 . . . . 0.0 109.335 179.963 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . 0.54 ' CD2' HG23 ' A' ' 44' ' ' VAL . 23.7 m-85 -119.85 15.85 12.61 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.497 1.123 . . . . 0.0 110.953 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . 0.53 ' CG ' ' HB3' ' A' ' 17' ' ' SER . 5.4 t80 -77.72 132.41 38.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.137 . . . . 0.0 110.999 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' THR . . . . . 0.407 ' O ' ' HB2' ' A' ' 11' ' ' CYS . 42.8 p -114.47 86.38 2.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.453 1.096 . . . . 0.0 110.409 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 29.0 t -71.58 -3.63 22.51 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.509 1.131 . . . . 0.0 109.991 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.87 -54.63 6.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 110.334 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' THR . . . . . 0.467 ' CG2' ' O ' ' A' ' 38' ' ' GLN . 0.7 OUTLIER -92.39 -26.17 18.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.138 . . . . 0.0 110.387 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.457 ' SG ' ' CB ' ' A' ' 20' ' ' ALA . 35.3 t -64.17 136.44 96.75 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.544 1.152 . . . . 0.0 108.281 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.401 ' HD2' ' SG ' ' A' ' 11' ' ' CYS . 18.3 Cg_endo -74.98 -1.99 11.94 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.473 1.775 . . . . 0.0 111.016 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 94.2 m-85 -118.15 131.64 56.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 0.0 110.989 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.39 34.41 5.03 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.466 1.104 . . . . 0.0 109.29 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 4.6 t30 -105.5 -54.18 2.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.12 . . . . 0.0 109.305 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -165.19 156.74 14.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 109.298 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.53 ' HB3' ' CG ' ' A' ' 6' ' ' TYR . 66.3 p -69.91 -32.33 70.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 110.031 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.512 ' O ' ' CB ' ' A' ' 22' ' ' ASP . 49.3 mt-30 -65.65 -24.13 66.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.455 1.097 . . . . 0.0 110.292 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 43.2 tp -70.55 -65.92 0.67 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 0.0 109.278 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.457 ' CB ' ' SG ' ' A' ' 11' ' ' CYS . . . -55.34 -33.78 63.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.259 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' TRP . . . . . 0.57 ' HB2' ' CZ ' ' A' ' 40' ' ' PHE . 5.5 t-105 -74.5 -41.23 61.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.117 . . . . 0.0 108.059 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.512 ' CB ' ' O ' ' A' ' 18' ' ' GLN . 4.4 t70 -65.33 -11.69 44.39 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.441 1.088 . . . . 0.0 109.314 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -85.65 -61.05 1.85 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.53 1.143 . . . . 0.0 110.392 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.438 ' SG ' ' N ' ' A' ' 25' ' ' SER . 0.0 OUTLIER -79.81 -67.37 0.77 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 108.326 179.958 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.557 ' OG ' ' CD2' ' A' ' 21' ' ' TRP . 0.1 OUTLIER -77.76 53.19 1.1 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.477 1.111 . . . . 0.0 110.035 179.962 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.031 0 O-C-N 124.534 1.146 . . . . 0.0 110.954 -179.984 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 25.3 p30 . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.435 ' CB ' ' O ' ' A' ' 24' ' ' CYS . 0.6 OUTLIER -60.84 137.3 58.22 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 108.252 -179.965 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 176.18 -173.65 46.41 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.441 1.088 . . . . 0.0 111.005 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.416 ' HA ' ' SG ' ' A' ' 36' ' ' CYS . 88.7 m -85.28 -6.33 59.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 0.759 . . . . 0.0 110.402 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.497 ' O ' ' HB2' ' A' ' 38' ' ' GLN . 70.4 t -82.76 -34.65 11.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.311 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -63.37 -19.05 64.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 108.345 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.438 ' SG ' ' O ' ' A' ' 45' ' ' SER . 73.6 m -55.63 -78.97 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.542 1.151 . . . . 0.0 108.276 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -84.7 48.63 4.09 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.471 1.107 . . . . 0.0 111.015 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.497 ' HB2' ' O ' ' A' ' 34' ' ' VAL . 2.0 tt0 -120.45 -59.85 1.73 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.428 0.723 . . . . 0.0 110.306 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 61.1 m -112.06 -13.51 13.56 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.457 1.098 . . . . 0.0 108.297 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.57 ' CZ ' ' HB2' ' A' ' 21' ' ' TRP . 1.2 m-85 -135.1 174.5 10.54 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.123 . . . . 0.0 110.99 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.5 ' C ' ' H ' ' A' ' 45' ' ' SER . 3.3 m -143.71 158.23 43.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 109.962 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.669 ' CD2' ' HA ' ' A' ' 43' ' ' PRO . 0.2 OUTLIER -54.73 153.92 10.16 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.511 1.132 . . . . 0.0 111.0 -179.953 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.669 ' HA ' ' CD2' ' A' ' 42' ' ' PHE . 18.3 Cg_endo -74.99 6.46 11.63 Favored 'Cis proline' 0 C--N 1.36 1.162 0 C-N-CA 121.006 -2.497 . . . . 0.0 111.001 -0.022 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.54 HG23 ' CD2' ' A' ' 5' ' ' PHE . 2.0 t -70.17 -36.97 70.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 109.313 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.513 ' HB3' ' N ' ' A' ' 42' ' ' PHE . 0.6 OUTLIER -52.52 -17.84 1.43 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.54 1.15 . . . . 0.0 110.024 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.614 ' HB2' ' CE1' ' A' ' 42' ' ' PHE . 0.4 OUTLIER -89.08 -25.23 22.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 110.281 179.967 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' SER . . . . . 0.449 ' N ' ' O ' ' A' ' 44' ' ' VAL . 2.5 t -75.19 -37.94 61.01 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.524 1.14 . . . . 0.0 110.052 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . 0.433 ' SG ' ' N ' ' A' ' 36' ' ' CYS . 0.1 OUTLIER -54.08 -66.24 0.43 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 108.305 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.423 ' CB ' ' SG ' ' A' ' 36' ' ' CYS . . . -59.48 -16.16 22.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 0.0 109.273 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -80.16 -52.96 4.35 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.477 1.111 . . . . 0.0 111.039 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' MET . . . . . 0.434 ' HB3' ' CB ' ' A' ' 25' ' ' SER . 3.9 tpt -85.47 14.34 5.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 0.78 . . . . 0.0 110.998 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 0.0 109.321 179.996 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.452 -0.344 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -55.94 -29.33 59.96 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 110.292 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -74.24 -5.56 42.72 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.472 1.107 . . . . 0.0 109.276 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 18.4 m-85 -126.88 16.71 7.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 110.983 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . 0.539 ' CG ' ' HB3' ' A' ' 17' ' ' SER . 5.5 t80 -78.79 132.57 36.95 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.47 1.107 . . . . 0.0 111.002 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' THR . . . . . 0.424 ' OG1' ' O ' ' A' ' 7' ' ' THR . 8.7 p -121.53 89.38 3.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 110.432 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -67.69 -8.39 34.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.471 1.107 . . . . 0.0 110.005 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -68.96 -46.1 69.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.112 . . . . 0.0 110.27 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' THR . . . . . 0.524 ' CG2' ' O ' ' A' ' 38' ' ' GLN . 0.5 OUTLIER -99.13 -27.91 13.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.133 . . . . 0.0 110.381 -179.983 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.463 ' SG ' ' CB ' ' A' ' 20' ' ' ALA . 7.7 t -64.31 137.29 97.08 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 108.258 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.566 ' HG2' ' CE2' ' A' ' 13' ' ' TYR . 18.1 Cg_endo -75.05 -7.61 19.27 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.503 1.791 . . . . 0.0 110.998 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.566 ' CE2' ' HG2' ' A' ' 12' ' ' PRO . 52.5 m-85 -122.68 139.27 54.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 110.98 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.54 34.49 4.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 109.291 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 17.9 t30 -99.35 -45.73 5.75 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 109.352 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -165.47 156.54 14.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.336 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.539 ' HB3' ' CG ' ' A' ' 6' ' ' TYR . 9.3 p -73.62 -34.11 64.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.993 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 42.9 tt0 -74.6 -22.71 58.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 110.322 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.477 HD11 ' CD1' ' A' ' 13' ' ' TYR . 0.4 OUTLIER -65.98 -58.52 5.35 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 109.263 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.463 ' CB ' ' SG ' ' A' ' 11' ' ' CYS . . . -60.98 -32.81 72.35 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.498 1.124 . . . . 0.0 109.281 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' TRP . . . . . 0.565 ' HB2' ' CZ ' ' A' ' 40' ' ' PHE . 7.6 t-105 -68.06 -41.01 82.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 108.005 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 35.8 t0 -66.5 -13.08 60.4 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.462 1.101 . . . . 0.0 109.325 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -84.61 -55.43 4.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 110.424 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.433 ' SG ' ' N ' ' A' ' 25' ' ' SER . 0.0 OUTLIER -85.91 -71.59 0.53 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 108.289 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.561 ' OG ' ' CE3' ' A' ' 21' ' ' TRP . 0.1 OUTLIER -79.81 51.96 1.39 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.448 1.093 . . . . 0.0 109.967 -179.962 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.944 0 O-C-N 124.489 1.118 . . . . 0.0 111.005 180.0 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 42.6 p-10 . . . . . 0 N--CA 1.454 -0.259 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.402 ' SG ' ' O ' ' A' ' 52' ' ' ALA . 0.8 OUTLIER -63.49 125.19 23.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 108.275 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -170.42 179.05 42.78 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.539 1.149 . . . . 0.0 110.965 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.432 ' HA ' ' SG ' ' A' ' 36' ' ' CYS . 91.8 m -85.49 -5.76 59.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 0.765 . . . . 0.0 110.421 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.455 ' O ' ' HB2' ' A' ' 38' ' ' GLN . 53.2 t -79.25 -35.09 16.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.467 1.105 . . . . 0.0 109.317 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -63.06 -14.13 44.38 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.493 1.121 . . . . 0.0 108.3 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.444 ' SG ' ' O ' ' A' ' 45' ' ' SER . 81.4 m -55.52 -69.4 0.14 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 108.283 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -97.56 45.4 1.74 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.538 1.149 . . . . 0.0 110.99 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.524 ' O ' ' CG2' ' A' ' 10' ' ' THR . 0.1 OUTLIER -121.36 -36.21 3.13 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 0.763 . . . . 0.0 110.294 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.403 ' O ' ' N ' ' A' ' 7' ' ' THR . 70.7 m -125.72 -41.06 2.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.548 1.155 . . . . 0.0 108.307 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.565 ' CZ ' ' HB2' ' A' ' 21' ' ' TRP . 0.5 OUTLIER -114.93 179.39 3.96 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.52 1.137 . . . . 0.0 111.002 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.5 ' O ' ' HB ' ' A' ' 44' ' ' VAL . 2.7 m -140.97 158.75 43.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 110.03 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.633 ' CD2' ' HA ' ' A' ' 43' ' ' PRO . 0.2 OUTLIER -55.17 154.93 9.78 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 111.015 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.633 ' HA ' ' CD2' ' A' ' 42' ' ' PHE . 18.4 Cg_endo -74.95 7.88 10.41 Favored 'Cis proline' 0 C--N 1.36 1.136 0 C-N-CA 121.001 -2.499 . . . . 0.0 111.0 -0.029 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.5 ' HB ' ' O ' ' A' ' 41' ' ' SER . 2.1 t -70.6 -38.59 73.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 0.0 109.322 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.545 ' HB3' ' N ' ' A' ' 42' ' ' PHE . 0.2 OUTLIER -52.74 -18.35 1.79 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.13 . . . . 0.0 110.008 -179.967 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.589 ' HB2' ' CE1' ' A' ' 42' ' ' PHE . 4.2 tt0 -87.53 -24.61 24.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.54 1.15 . . . . 0.0 110.285 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 87.2 p -75.27 -38.05 60.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.096 . . . . 0.0 110.019 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -53.18 -65.49 0.55 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.14 . . . . 0.0 108.305 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -58.05 -17.4 17.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 109.334 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -80.51 -55.76 3.34 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.491 1.119 . . . . 0.0 110.962 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' MET . . . . . 0.5 ' HB3' ' CZ2' ' A' ' 21' ' ' TRP . 0.6 OUTLIER -85.32 15.53 4.3 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.516 0.774 . . . . 0.0 111.04 179.977 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.402 ' O ' ' SG ' ' A' ' 31' ' ' CYS . . . . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 109.306 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 5.4 tm-20 -53.66 -31.21 46.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 110.284 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -74.07 -4.19 34.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 109.32 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . 0.473 ' CG ' HG23 ' A' ' 44' ' ' VAL . 12.5 m-85 -128.17 13.12 6.67 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.14 . . . . 0.0 110.98 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . 0.542 ' CG ' ' HB3' ' A' ' 17' ' ' SER . 4.6 t80 -78.44 142.32 37.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 111.008 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' THR . . . . . 0.424 ' OG1' ' CG2' ' A' ' 10' ' ' THR . 38.4 p -125.94 88.22 2.82 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.43 1.081 . . . . 0.0 110.354 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.24 -11.76 44.42 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 110.003 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -68.95 -48.56 62.89 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.458 1.099 . . . . 0.0 110.328 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' THR . . . . . 0.525 ' CG2' ' O ' ' A' ' 38' ' ' GLN . 0.5 OUTLIER -94.21 -29.23 15.21 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.496 1.122 . . . . 0.0 110.376 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.407 ' SG ' ' CB ' ' A' ' 20' ' ' ALA . 6.1 t -64.37 136.4 96.74 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.5 1.125 . . . . 0.0 108.32 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -13.54 21.38 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.47 1.774 . . . . 0.0 110.98 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.425 ' CD1' HD22 ' A' ' 19' ' ' LEU . 99.7 m-85 -111.1 135.98 50.82 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.486 1.116 . . . . 0.0 111.013 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.22 32.57 5.96 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.117 . . . . 0.0 109.273 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . 0.463 ' HB3' ' CD2' ' A' ' 19' ' ' LEU . 49.5 t30 -95.71 -60.56 1.62 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.544 1.153 . . . . 0.0 109.338 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -165.81 156.04 12.86 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 109.257 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.542 ' HB3' ' CG ' ' A' ' 6' ' ' TYR . 36.3 p -63.91 -34.17 77.36 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 109.998 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 12.2 mt-30 -66.94 -32.57 73.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 110.294 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.463 ' CD2' ' HB3' ' A' ' 15' ' ' ASN . 7.9 tp -62.79 -64.97 0.76 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 109.313 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.407 ' CB ' ' SG ' ' A' ' 11' ' ' CYS . . . -56.55 -33.56 66.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.547 1.154 . . . . 0.0 109.303 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' TRP . . . . . 0.56 ' CD2' ' OG ' ' A' ' 25' ' ' SER . 19.0 t-105 -66.48 -44.98 81.18 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 107.996 -1.113 . . . . 0.0 107.996 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 11.7 t0 -65.68 -23.59 66.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.272 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.407 HG21 ' N ' ' A' ' 24' ' ' CYS . 0.9 OUTLIER -71.03 -64.16 0.96 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 110.421 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.418 ' O ' ' CB ' ' A' ' 31' ' ' CYS . 0.0 OUTLIER -82.64 -60.29 2.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.13 . . . . 0.0 108.306 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.56 ' OG ' ' CD2' ' A' ' 21' ' ' TRP . 0.1 OUTLIER -76.48 54.04 0.9 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 109.97 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.946 0 O-C-N 124.529 1.143 . . . . 0.0 111.007 179.962 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.454 -0.267 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.418 ' CB ' ' O ' ' A' ' 24' ' ' CYS . 10.3 p -76.18 131.69 39.51 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 108.306 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -176.24 -179.55 46.77 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.536 1.148 . . . . 0.0 111.042 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.413 ' O ' ' SG ' ' A' ' 36' ' ' CYS . 93.8 m -85.1 -4.44 59.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 0.781 . . . . 0.0 110.393 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.487 ' O ' ' HB2' ' A' ' 38' ' ' GLN . 63.0 t -82.49 -34.71 12.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.551 1.157 . . . . 0.0 109.333 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -63.17 -13.3 35.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 108.258 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.44 ' SG ' ' O ' ' A' ' 45' ' ' SER . 72.5 m -54.72 -78.24 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 108.321 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -87.07 42.07 3.13 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.558 1.161 . . . . 0.0 111.003 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.525 ' O ' ' CG2' ' A' ' 10' ' ' THR . 6.4 tp60 -123.06 -41.69 2.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.475 0.75 . . . . 0.0 110.348 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.405 ' HB2' ' CE1' ' A' ' 40' ' ' PHE . 17.6 m -114.32 -30.11 6.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.122 . . . . 0.0 108.283 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.499 ' CZ ' ' HB2' ' A' ' 21' ' ' TRP . 0.3 OUTLIER -133.8 -177.23 4.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.125 . . . . 0.0 110.987 -179.981 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.499 ' O ' ' HB ' ' A' ' 44' ' ' VAL . 3.1 m -140.81 157.49 45.32 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.459 1.1 . . . . 0.0 110.026 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.641 ' CD2' ' HA ' ' A' ' 43' ' ' PRO . 0.2 OUTLIER -55.04 154.7 9.68 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 111.004 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.641 ' HA ' ' CD2' ' A' ' 42' ' ' PHE . 18.3 Cg_endo -75.01 7.59 10.77 Favored 'Cis proline' 0 C--N 1.359 1.122 0 C-N-CA 121.008 -2.496 . . . . 0.0 110.997 0.031 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.499 ' HB ' ' O ' ' A' ' 41' ' ' SER . 2.1 t -70.58 -38.13 72.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.569 1.168 . . . . 0.0 109.327 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.554 ' HB3' ' N ' ' A' ' 42' ' ' PHE . 0.2 OUTLIER -52.56 -18.52 1.77 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.469 1.105 . . . . 0.0 110.02 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.59 ' HB2' ' CE1' ' A' ' 42' ' ' PHE . 1.3 tt0 -87.07 -24.16 24.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 110.28 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' SER . . . . . 0.448 ' N ' ' O ' ' A' ' 44' ' ' VAL . 0.8 OUTLIER -75.57 -38.28 59.31 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.534 1.146 . . . . 0.0 110.001 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 1.4 t -53.45 -65.1 0.62 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.473 1.108 . . . . 0.0 108.327 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -57.46 -18.78 20.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.344 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -79.57 -56.83 3.26 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.469 1.105 . . . . 0.0 110.999 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' MET . . . . . 0.402 ' CB ' ' CZ2' ' A' ' 21' ' ' TRP . 6.1 tpp -86.52 21.97 2.0 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 0.76 . . . . 0.0 110.964 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.131 . . . . 0.0 109.3 -179.993 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 1.6 pt . . . . . 0 N--CA 1.452 -0.334 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -54.0 -27.28 30.76 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.488 1.118 . . . . 0.0 110.274 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -74.57 -9.35 58.49 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.511 1.132 . . . . 0.0 109.316 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . 0.532 ' CG ' HG21 ' A' ' 44' ' ' VAL . 13.9 m-85 -123.88 16.4 9.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.111 . . . . 0.0 111.03 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . 0.552 ' CG ' ' HB2' ' A' ' 17' ' ' SER . 3.2 t80 -78.2 116.39 18.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 111.002 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' THR . . . . . 0.454 ' OG1' ' CG2' ' A' ' 10' ' ' THR . 7.2 p -105.27 90.64 3.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 110.383 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -68.6 -8.85 45.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.982 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.37 -51.3 38.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 110.294 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' THR . . . . . 0.521 ' CG2' ' O ' ' A' ' 38' ' ' GLN . 0.8 OUTLIER -91.52 -27.7 18.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 110.401 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.429 ' SG ' ' HD2' ' A' ' 12' ' ' PRO . 7.4 t -63.96 137.22 97.04 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.51 1.131 . . . . 0.0 108.337 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.429 ' HD2' ' SG ' ' A' ' 11' ' ' CYS . 18.2 Cg_endo -75.01 -24.55 12.69 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.51 1.795 . . . . 0.0 111.004 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 63.7 m-85 -109.1 -179.51 3.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 111.017 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.432 ' HG2' ' N ' ' A' ' 15' ' ' ASN . 0.0 OUTLIER -153.41 -142.42 0.12 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.443 1.09 . . . . 0.0 109.283 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . 0.432 ' N ' ' HG2' ' A' ' 14' ' ' LYS . 1.0 OUTLIER 72.16 -68.76 0.21 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 109.277 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -142.75 156.78 45.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.15 . . . . 0.0 109.346 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.552 ' HB2' ' CG ' ' A' ' 6' ' ' TYR . 11.5 t -75.77 -31.85 59.69 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.507 1.129 . . . . 0.0 110.021 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 15.6 tt0 -65.51 -17.3 64.46 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.547 1.155 . . . . 0.0 110.31 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 43.6 tp -70.45 -64.95 0.8 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.542 1.151 . . . . 0.0 109.299 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.405 ' CB ' ' SG ' ' A' ' 11' ' ' CYS . . . -58.14 -32.03 67.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 109.326 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' TRP . . . . . 0.588 ' CE3' ' OG ' ' A' ' 25' ' ' SER . 6.0 t-105 -70.77 -37.56 73.38 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.099 . . . . 0.0 108.044 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -64.74 -13.23 54.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 109.296 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.424 HG21 ' N ' ' A' ' 24' ' ' CYS . 0.9 OUTLIER -91.03 -66.25 0.94 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.44 1.088 . . . . 0.0 110.34 -179.95 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.444 ' SG ' ' N ' ' A' ' 25' ' ' SER . 0.0 OUTLIER -67.52 -71.72 0.2 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 108.318 -179.956 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.588 ' OG ' ' CE3' ' A' ' 21' ' ' TRP . 0.0 OUTLIER -80.98 51.67 1.61 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.439 1.087 . . . . 0.0 109.993 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.056 0 O-C-N 124.502 1.126 . . . . 0.0 110.995 -179.997 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 44.9 p-10 . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -59.09 138.55 57.5 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 108.29 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 170.63 -179.5 42.62 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.518 1.136 . . . . 0.0 111.011 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.416 ' O ' ' SG ' ' A' ' 36' ' ' CYS . 59.6 m -81.33 -5.01 57.38 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.562 0.801 . . . . 0.0 110.447 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.42 ' O ' ' HB2' ' A' ' 38' ' ' GLN . 69.0 t -73.98 -42.07 52.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 109.271 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -63.06 -14.68 51.14 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.473 1.108 . . . . 0.0 108.272 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.552 ' SG ' ' N ' ' A' ' 37' ' ' GLY . 0.5 OUTLIER -55.86 -53.33 58.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.105 . . . . 0.0 108.24 -179.957 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.552 ' N ' ' SG ' ' A' ' 36' ' ' CYS . . . -114.36 42.99 1.79 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.517 1.136 . . . . 0.0 111.015 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.521 ' O ' ' CG2' ' A' ' 10' ' ' THR . 24.1 tp60 -119.79 -40.35 2.76 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.447 0.734 . . . . 0.0 110.33 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 92.2 m -122.5 -37.29 2.8 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.539 1.149 . . . . 0.0 108.297 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.521 ' CZ ' ' HB2' ' A' ' 21' ' ' TRP . 0.6 OUTLIER -118.64 -176.87 3.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 110.984 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.527 ' O ' ' HB ' ' A' ' 44' ' ' VAL . 0.0 OUTLIER -148.17 156.03 42.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 109.979 -179.974 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.65 ' CD2' ' HA ' ' A' ' 43' ' ' PRO . 0.2 OUTLIER -54.06 154.71 7.34 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 111.043 179.948 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.65 ' HA ' ' CD2' ' A' ' 42' ' ' PHE . 18.4 Cg_endo -75.01 8.7 9.87 Favored 'Cis proline' 0 C--N 1.36 1.152 0 C-N-CA 120.999 -2.501 . . . . 0.0 110.965 0.02 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.532 HG21 ' CG ' ' A' ' 5' ' ' PHE . 2.4 t -70.06 -39.92 77.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.098 . . . . 0.0 109.298 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.493 ' HB3' ' N ' ' A' ' 42' ' ' PHE . 0.1 OUTLIER -51.72 -20.44 2.11 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.548 1.155 . . . . 0.0 109.968 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.581 ' HB2' ' CE1' ' A' ' 42' ' ' PHE . 10.4 tt0 -80.99 -32.22 34.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 110.26 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' SER . . . . . 0.413 ' OG ' ' O ' ' A' ' 44' ' ' VAL . 17.7 p -76.03 -37.75 58.01 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 110.028 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . 0.401 ' HA ' ' CZ3' ' A' ' 21' ' ' TRP . 0.1 OUTLIER -54.2 -55.62 26.25 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.134 . . . . 0.0 108.344 179.948 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -68.76 -17.91 64.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.139 . . . . 0.0 109.285 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -77.58 -52.37 5.54 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.466 1.104 . . . . 0.0 110.986 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' MET . . . . . 0.443 ' CB ' ' CZ2' ' A' ' 21' ' ' TRP . 0.8 OUTLIER -84.99 13.87 5.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 0.762 . . . . 0.0 110.99 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.301 179.971 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -55.85 -32.22 63.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.11 . . . . 0.0 110.303 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -74.05 -4.42 35.35 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.112 . . . . 0.0 109.333 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 20.6 m-85 -128.0 18.06 6.66 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 0.0 111.014 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . 0.538 ' CG ' ' HB3' ' A' ' 17' ' ' SER . 5.0 t80 -78.73 134.83 37.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 111.016 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' THR . . . . . 0.465 ' N ' ' O ' ' A' ' 39' ' ' CYS . 19.6 p -121.82 89.22 3.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.45 1.094 . . . . 0.0 110.443 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -67.44 -9.63 43.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.987 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -68.46 -50.73 50.35 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.132 . . . . 0.0 110.27 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' THR . . . . . 0.517 ' CG2' ' O ' ' A' ' 38' ' ' GLN . 0.6 OUTLIER -93.94 -28.71 15.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 110.426 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.502 ' SG ' ' CB ' ' A' ' 20' ' ' ALA . 7.9 t -64.55 137.67 97.21 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 108.299 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.57 ' HG2' ' CE2' ' A' ' 13' ' ' TYR . 18.3 Cg_endo -74.99 -4.21 15.07 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.511 1.795 . . . . 0.0 111.0 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.57 ' CE2' ' HG2' ' A' ' 12' ' ' PRO . 28.2 m-85 -124.21 149.23 46.61 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.576 1.172 . . . . 0.0 111.003 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.455 ' HD3' ' N ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -139.32 27.77 2.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 0.0 109.3 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -94.92 -43.68 8.07 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.448 1.092 . . . . 0.0 109.334 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -165.49 155.03 12.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 109.268 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.538 ' HB3' ' CG ' ' A' ' 6' ' ' TYR . 1.8 p -72.99 -33.79 66.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.967 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 76.1 mt-30 -73.1 -26.91 61.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 110.296 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.432 HD12 ' N ' ' A' ' 20' ' ' ALA . 0.3 OUTLIER -62.73 -57.4 11.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 0.0 109.325 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.502 ' CB ' ' SG ' ' A' ' 11' ' ' CYS . . . -61.1 -34.41 74.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 109.312 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' TRP . . . . . 0.544 ' HB2' ' CZ ' ' A' ' 40' ' ' PHE . 9.5 t-105 -68.03 -43.69 78.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.133 . . . . 0.0 107.992 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -65.49 -14.0 60.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.113 . . . . 0.0 109.292 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -80.44 -58.0 3.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.44 1.088 . . . . 0.0 110.385 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.446 ' SG ' ' N ' ' A' ' 25' ' ' SER . 0.0 OUTLIER -87.31 -68.38 0.76 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.13 . . . . 0.0 108.303 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.532 ' HB2' ' CE2' ' A' ' 21' ' ' TRP . 0.1 OUTLIER -80.32 51.89 1.5 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.115 . . . . 0.0 109.981 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 O-C-N 124.486 1.116 . . . . 0.0 111.019 -179.996 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 5.8 p30 . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.4 ' SG ' ' O ' ' A' ' 52' ' ' ALA . 0.7 OUTLIER -54.9 133.78 48.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 108.284 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 179.48 177.95 48.09 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.501 1.126 . . . . 0.0 110.991 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.418 ' HA ' ' SG ' ' A' ' 36' ' ' CYS . 96.2 m -85.16 -5.41 59.33 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.522 0.778 . . . . 0.0 110.401 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.465 ' O ' ' HB2' ' A' ' 38' ' ' GLN . 97.5 t -81.34 -34.22 13.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.484 1.115 . . . . 0.0 109.285 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -62.77 -14.67 47.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.149 . . . . 0.0 108.343 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.437 ' SG ' ' O ' ' A' ' 45' ' ' SER . 61.4 m -55.99 -76.47 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.548 1.155 . . . . 0.0 108.302 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -88.1 44.14 3.19 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.498 1.124 . . . . 0.0 111.025 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.517 ' O ' ' CG2' ' A' ' 10' ' ' THR . 3.8 tt0 -121.09 -35.17 3.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 0.777 . . . . 0.0 110.32 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.465 ' O ' ' N ' ' A' ' 7' ' ' THR . 71.1 m -126.55 -44.13 1.7 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.123 . . . . 0.0 108.297 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.544 ' CZ ' ' HB2' ' A' ' 21' ' ' TRP . 0.4 OUTLIER -112.74 178.61 4.23 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 0.0 110.955 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.496 ' O ' ' HB ' ' A' ' 44' ' ' VAL . 1.2 p -139.27 158.06 44.83 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.522 1.139 . . . . 0.0 109.959 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.627 ' CD2' ' HA ' ' A' ' 43' ' ' PRO . 0.2 OUTLIER -54.75 154.83 8.71 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 111.039 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.627 ' HA ' ' CD2' ' A' ' 42' ' ' PHE . 18.4 Cg_endo -74.99 7.82 10.53 Favored 'Cis proline' 0 C--N 1.359 1.114 0 C-N-CA 120.991 -2.504 . . . . 0.0 111.036 0.021 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.496 ' HB ' ' O ' ' A' ' 41' ' ' SER . 2.1 t -70.43 -38.68 74.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 109.358 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.542 ' HB3' ' N ' ' A' ' 42' ' ' PHE . 0.2 OUTLIER -52.73 -18.62 1.92 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 0.0 110.007 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.601 ' HB2' ' CE1' ' A' ' 42' ' ' PHE . 3.7 tt0 -86.5 -24.62 25.49 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.524 1.14 . . . . 0.0 110.296 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.7 m -75.25 -37.81 60.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 110.002 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -53.86 -63.05 1.27 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 108.296 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.49 -15.93 31.86 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.117 . . . . 0.0 109.325 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -82.48 -55.53 3.01 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.438 1.086 . . . . 0.0 110.998 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' MET . . . . . 0.519 ' CB ' ' CZ2' ' A' ' 21' ' ' TRP . 0.0 OUTLIER -85.38 15.05 4.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 0.785 . . . . 0.0 111.039 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.4 ' O ' ' SG ' ' A' ' 31' ' ' CYS . . . . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 109.266 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -60.32 -31.0 69.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 0.0 110.3 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 79.1 m-20 -74.11 -5.08 39.52 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.482 1.114 . . . . 0.0 109.306 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 16.3 m-85 -127.41 14.24 7.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 0.0 111.033 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . 0.556 ' CG ' ' HB3' ' A' ' 17' ' ' SER . 4.2 t80 -78.46 128.78 34.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 110.98 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' THR . . . . . 0.407 ' OG1' ' O ' ' A' ' 7' ' ' THR . 10.2 p -114.95 89.71 3.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 110.41 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 38.2 t -71.38 -5.29 31.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 109.992 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -73.25 -48.14 37.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 110.295 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' THR . . . . . 0.502 ' CG2' ' O ' ' A' ' 38' ' ' GLN . 0.6 OUTLIER -97.52 -26.32 14.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 110.381 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.406 ' SG ' ' CB ' ' A' ' 20' ' ' ALA . 15.5 t -64.54 136.29 96.71 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.145 . . . . 0.0 108.316 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.403 ' HD2' ' SG ' ' A' ' 11' ' ' CYS . 18.4 Cg_endo -75.0 -20.6 16.71 Favored 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.53 1.805 . . . . 0.0 110.967 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 84.4 m-85 -101.48 178.22 4.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 111.006 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.443 ' HD2' ' N ' ' A' ' 15' ' ' ASN . 0.8 OUTLIER -155.75 -159.28 0.89 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.313 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . 0.443 ' N ' ' HD2' ' A' ' 14' ' ' LYS . 1.6 t30 77.27 -67.58 0.2 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 109.284 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -143.05 160.33 40.58 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.45 1.094 . . . . 0.0 109.296 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.556 ' HB3' ' CG ' ' A' ' 6' ' ' TYR . 79.4 p -77.59 -31.4 53.03 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.5 1.125 . . . . 0.0 110.046 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 19.0 mt-30 -65.11 -18.85 65.65 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.512 1.132 . . . . 0.0 110.308 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 52.6 tp -69.45 -55.18 11.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.295 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.406 ' CB ' ' SG ' ' A' ' 11' ' ' CYS . . . -67.94 -34.19 76.11 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.546 1.154 . . . . 0.0 109.329 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' TRP . . . . . 0.584 ' CZ2' ' CB ' ' A' ' 51' ' ' MET . 7.4 t-105 -68.69 -37.85 79.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.106 . . . . 0.0 108.025 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -65.11 -14.95 61.8 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 109.328 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.434 ' CG2' ' N ' ' A' ' 24' ' ' CYS . 0.7 OUTLIER -84.96 -68.7 0.7 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.13 . . . . 0.0 110.383 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.434 ' N ' ' CG2' ' A' ' 23' ' ' THR . 0.0 OUTLIER -70.14 -71.62 0.23 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.462 1.101 . . . . 0.0 108.287 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.551 ' OG ' ' CD2' ' A' ' 21' ' ' TRP . 0.1 OUTLIER -77.83 52.73 1.06 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 109.977 180.0 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.02 0 O-C-N 124.523 1.139 . . . . 0.0 110.988 -179.999 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 1.3 p-10 . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.402 ' SG ' ' O ' ' A' ' 52' ' ' ALA . 0.7 OUTLIER -61.39 131.2 49.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 108.3 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -177.21 -177.75 46.36 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.474 1.109 . . . . 0.0 110.997 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.426 ' HA ' ' SG ' ' A' ' 36' ' ' CYS . 96.5 m -85.14 -6.28 59.3 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 0.774 . . . . 0.0 110.388 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.501 ' O ' ' HB2' ' A' ' 38' ' ' GLN . 70.6 t -81.43 -34.28 13.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 0.0 109.323 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -62.79 -18.56 62.91 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.458 1.099 . . . . 0.0 108.326 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.432 ' SG ' ' O ' ' A' ' 45' ' ' SER . 63.4 m -54.64 -77.14 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.119 . . . . 0.0 108.296 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -87.11 48.0 3.76 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.518 1.136 . . . . 0.0 110.991 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.502 ' O ' ' CG2' ' A' ' 10' ' ' THR . 2.5 tp60 -120.98 -50.23 2.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 0.769 . . . . 0.0 110.321 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.403 ' SG ' ' HD2' ' A' ' 12' ' ' PRO . 75.4 m -115.05 -34.74 4.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.559 1.162 . . . . 0.0 108.326 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.559 ' CZ ' ' HB2' ' A' ' 21' ' ' TRP . 0.9 OUTLIER -118.74 177.28 4.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 110.963 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.489 ' O ' ' HB ' ' A' ' 44' ' ' VAL . 0.3 OUTLIER -140.8 158.9 43.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.532 1.145 . . . . 0.0 109.967 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.638 ' CD2' ' HA ' ' A' ' 43' ' ' PRO . 0.2 OUTLIER -55.05 154.85 9.43 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 110.982 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.638 ' HA ' ' CD2' ' A' ' 42' ' ' PHE . 18.4 Cg_endo -74.96 7.58 10.67 Favored 'Cis proline' 0 C--N 1.36 1.17 0 C-N-CA 121.01 -2.496 . . . . 0.0 111.019 -0.027 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.489 ' HB ' ' O ' ' A' ' 41' ' ' SER . 2.1 t -70.56 -38.21 72.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 109.299 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.553 ' HB3' ' N ' ' A' ' 42' ' ' PHE . 0.2 OUTLIER -52.33 -18.78 1.73 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.43 1.081 . . . . 0.0 110.01 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.601 ' HB2' ' CE1' ' A' ' 42' ' ' PHE . 10.4 tt0 -86.6 -25.38 24.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.451 1.094 . . . . 0.0 110.298 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' SER . . . . . 0.421 ' N ' ' O ' ' A' ' 44' ' ' VAL . 3.4 m -75.45 -37.49 60.31 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 0.0 110.024 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . 0.404 ' SG ' ' N ' ' A' ' 36' ' ' CYS . 0.1 OUTLIER -53.74 -65.22 0.6 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 108.315 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -58.8 -16.84 18.94 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 109.286 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -80.93 -54.24 3.69 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.504 1.128 . . . . 0.0 111.018 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' MET . . . . . 0.584 ' CB ' ' CZ2' ' A' ' 21' ' ' TRP . 0.0 OUTLIER -85.35 15.51 4.34 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 0.747 . . . . 0.0 110.962 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.402 ' O ' ' SG ' ' A' ' 31' ' ' CYS . . . . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.474 1.109 . . . . 0.0 109.234 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.452 -0.325 0 N-CA-C 109.33 -0.619 . . . . 0.0 109.33 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.61 -30.58 63.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.549 1.156 . . . . 0.0 110.288 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 37.5 m-20 -74.06 -4.79 37.67 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.481 1.113 . . . . 0.0 109.32 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 12.3 m-85 -126.87 17.55 7.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.554 1.159 . . . . 0.0 110.985 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . 0.527 ' CG ' ' HB3' ' A' ' 17' ' ' SER . 5.0 t80 -78.61 128.44 33.5 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.52 1.138 . . . . 0.0 110.992 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' THR . . . . . 0.412 ' O ' ' OG1' ' A' ' 7' ' ' THR . 9.8 p -116.55 91.29 3.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.553 1.158 . . . . 0.0 110.399 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -70.9 -5.83 33.7 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 110.011 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -71.63 -43.91 65.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.447 1.092 . . . . 0.0 110.311 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' THR . . . . . 0.53 ' CG2' ' O ' ' A' ' 38' ' ' GLN . 0.4 OUTLIER -102.05 -27.88 12.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 0.0 110.388 -179.96 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.488 ' SG ' ' CB ' ' A' ' 20' ' ' ALA . 8.4 t -64.61 137.48 97.15 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 108.284 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.536 ' HG2' ' CE2' ' A' ' 13' ' ' TYR . 18.3 Cg_endo -74.97 -5.19 16.48 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.52 1.8 . . . . 0.0 111.042 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.536 ' CE2' ' HG2' ' A' ' 12' ' ' PRO . 24.7 m-85 -122.75 148.65 45.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.135 . . . . 0.0 110.977 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.463 ' HD3' ' N ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -140.01 28.35 2.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.113 . . . . 0.0 109.303 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -96.96 -42.64 7.82 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 109.287 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -165.51 152.4 10.24 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.528 1.142 . . . . 0.0 109.313 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.527 ' HB3' ' CG ' ' A' ' 6' ' ' TYR . 1.6 p -71.42 -35.26 70.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 109.971 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.407 ' O ' ' N ' ' A' ' 22' ' ' ASP . 5.2 mt-30 -70.93 -27.25 63.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 110.294 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.436 ' CD1' ' HB3' ' A' ' 13' ' ' TYR . 0.3 OUTLIER -62.53 -57.31 11.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.547 1.154 . . . . 0.0 109.339 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.488 ' CB ' ' SG ' ' A' ' 11' ' ' CYS . . . -59.89 -34.23 72.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 0.0 109.294 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' TRP . . . . . 0.59 ' CZ2' ' CB ' ' A' ' 51' ' ' MET . 7.1 t-105 -70.68 -40.08 73.15 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 107.987 -1.116 . . . . 0.0 107.987 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.407 ' N ' ' O ' ' A' ' 18' ' ' GLN . 0.4 OUTLIER -64.6 -13.44 53.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 109.264 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.483 ' CG2' ' N ' ' A' ' 24' ' ' CYS . 0.7 OUTLIER -83.99 -70.15 0.59 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 110.408 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.504 ' O ' ' CB ' ' A' ' 31' ' ' CYS . 0.0 OUTLIER -70.25 -70.53 0.29 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 108.314 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.446 ' N ' ' SG ' ' A' ' 24' ' ' CYS . 0.0 OUTLIER -77.42 52.1 0.92 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 109.989 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.015 0 O-C-N 124.469 1.106 . . . . 0.0 110.983 -179.967 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 1.1 p-10 . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.504 ' CB ' ' O ' ' A' ' 24' ' ' CYS . 1.2 p -67.07 141.88 57.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.558 1.161 . . . . 0.0 108.279 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 179.75 -179.43 48.83 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.493 1.121 . . . . 0.0 110.978 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.439 ' HA ' ' SG ' ' A' ' 36' ' ' CYS . 52.5 m -85.41 -5.98 59.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 0.77 . . . . 0.0 110.425 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.453 ' O ' ' HB2' ' A' ' 38' ' ' GLN . 60.4 t -79.64 -35.68 16.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.272 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -62.7 -14.75 47.79 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.134 . . . . 0.0 108.334 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.441 ' O ' ' O ' ' A' ' 40' ' ' PHE . 85.0 m -55.84 -68.33 0.21 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 108.303 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -98.22 45.84 1.62 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.437 1.086 . . . . 0.0 111.002 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.53 ' O ' ' CG2' ' A' ' 10' ' ' THR . 8.1 tp60 -121.28 -36.8 3.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 0.762 . . . . 0.0 110.296 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.408 ' O ' ' N ' ' A' ' 7' ' ' THR . 71.8 m -125.46 -39.43 2.18 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 108.275 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.562 ' CZ ' ' HB2' ' A' ' 21' ' ' TRP . 0.6 OUTLIER -116.3 177.98 4.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 111.023 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.511 ' O ' ' HB ' ' A' ' 44' ' ' VAL . 0.0 OUTLIER -139.94 158.02 44.75 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 110.017 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.617 ' CD2' ' HA ' ' A' ' 43' ' ' PRO . 0.2 OUTLIER -55.05 154.86 9.42 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 110.982 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.617 ' HA ' ' CD2' ' A' ' 42' ' ' PHE . 18.2 Cg_endo -75.01 8.35 10.14 Favored 'Cis proline' 0 C--N 1.36 1.172 0 C-N-CA 121.035 -2.485 . . . . 0.0 110.959 0.004 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.511 ' HB ' ' O ' ' A' ' 41' ' ' SER . 2.1 t -70.91 -38.52 72.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.537 1.148 . . . . 0.0 109.288 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.544 ' HB3' ' N ' ' A' ' 42' ' ' PHE . 0.1 OUTLIER -52.73 -18.42 1.82 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.464 1.103 . . . . 0.0 109.966 -179.945 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.584 ' HB2' ' CE1' ' A' ' 42' ' ' PHE . 0.5 OUTLIER -87.59 -25.01 23.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.531 1.145 . . . . 0.0 110.294 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' SER . . . . . 0.435 ' N ' ' O ' ' A' ' 44' ' ' VAL . 3.9 m -75.19 -37.53 61.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 110.022 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -53.15 -68.16 0.19 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.471 1.107 . . . . 0.0 108.319 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -55.36 -19.38 8.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.101 . . . . 0.0 109.288 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -78.03 -52.78 5.16 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.507 1.129 . . . . 0.0 111.005 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' MET . . . . . 0.59 ' CB ' ' CZ2' ' A' ' 21' ' ' TRP . 0.0 OUTLIER -85.65 16.89 3.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 0.765 . . . . 0.0 111.011 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.4 ' O ' ' SG ' ' A' ' 31' ' ' CYS . . . . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.46 1.1 . . . . 0.0 109.334 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.303 -0.628 . . . . 0.0 109.303 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -54.25 -29.53 47.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 110.298 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -74.69 -11.22 60.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 109.269 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . 0.525 ' CG ' HG23 ' A' ' 44' ' ' VAL . 20.7 m-85 -122.58 17.25 10.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.145 . . . . 0.0 110.998 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . 0.516 ' CD2' ' HB3' ' A' ' 17' ' ' SER . 1.1 t80 -78.07 115.71 18.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.115 . . . . 0.0 110.993 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' THR . . . . . 0.401 ' O ' ' HB2' ' A' ' 11' ' ' CYS . 69.7 p -98.83 83.85 3.01 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.571 1.169 . . . . 0.0 110.362 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -67.89 -7.65 30.01 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.537 1.148 . . . . 0.0 110.019 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -72.32 -53.98 10.83 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 110.289 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' THR . . . . . 0.517 ' CG2' ' O ' ' A' ' 38' ' ' GLN . 0.1 OUTLIER -90.54 -27.83 18.91 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 110.339 -179.942 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.481 ' SG ' ' CB ' ' A' ' 20' ' ' ALA . 10.9 t -64.18 136.47 96.76 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.125 . . . . 0.0 108.274 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.406 ' HD2' ' SG ' ' A' ' 11' ' ' CYS . 18.3 Cg_endo -74.99 -3.93 14.66 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.546 1.814 . . . . 0.0 111.004 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 73.1 m-85 -118.67 163.84 16.24 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 111.034 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.417 ' HD3' ' N ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -155.12 25.19 0.42 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 109.325 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . 0.549 ' O ' ' CB ' ' A' ' 16' ' ' ASP . 13.0 m-20 -117.37 63.65 0.73 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 109.295 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . 0.549 ' CB ' ' O ' ' A' ' 15' ' ' ASN . 4.4 t0 85.43 133.93 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.258 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.516 ' HB3' ' CD2' ' A' ' 6' ' ' TYR . 68.6 p -63.88 -27.89 69.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 110.028 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 49.9 mt-30 -64.37 -17.79 64.06 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.537 1.148 . . . . 0.0 110.28 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 64.7 tp -75.76 -62.28 1.64 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.543 1.152 . . . . 0.0 109.348 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.481 ' CB ' ' SG ' ' A' ' 11' ' ' CYS . . . -61.6 -30.96 71.02 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.518 1.137 . . . . 0.0 109.278 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' TRP . . . . . 0.568 ' CD2' ' OG ' ' A' ' 25' ' ' SER . 6.5 t-105 -73.91 -38.98 64.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 107.978 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -66.11 -11.27 47.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 0.0 109.33 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.465 ' CG2' ' N ' ' A' ' 24' ' ' CYS . 0.8 OUTLIER -86.87 -73.62 0.46 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 110.401 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.465 ' N ' ' CG2' ' A' ' 23' ' ' THR . 0.0 OUTLIER -67.91 -60.03 2.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 108.282 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.568 ' OG ' ' CD2' ' A' ' 21' ' ' TRP . 0.0 OUTLIER -78.88 52.31 1.23 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.493 1.12 . . . . 0.0 109.995 -179.975 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.951 0 O-C-N 124.489 1.118 . . . . 0.0 111.045 179.992 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.454 -0.261 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.438 ' CB ' ' O ' ' A' ' 24' ' ' CYS . 10.4 p -78.78 137.59 37.81 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.112 . . . . 0.0 108.325 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 173.41 -175.07 46.22 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.515 1.134 . . . . 0.0 111.0 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.421 ' O ' ' SG ' ' A' ' 36' ' ' CYS . 65.3 m -84.9 -4.47 59.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 0.767 . . . . 0.0 110.402 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.433 ' O ' ' HB2' ' A' ' 38' ' ' GLN . 74.1 t -74.2 -44.19 49.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 109.287 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -63.15 -14.7 51.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.553 1.158 . . . . 0.0 108.298 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.549 ' SG ' ' N ' ' A' ' 37' ' ' GLY . 0.5 OUTLIER -54.77 -53.08 59.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 108.34 179.988 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.549 ' N ' ' SG ' ' A' ' 36' ' ' CYS . . . -113.79 41.8 2.11 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.492 1.12 . . . . 0.0 111.013 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.517 ' O ' ' CG2' ' A' ' 10' ' ' THR . 5.3 tp60 -119.98 -50.09 2.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 0.767 . . . . 0.0 110.311 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.401 ' SG ' ' HD2' ' A' ' 12' ' ' PRO . 87.8 m -111.78 -23.24 10.71 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.491 1.119 . . . . 0.0 108.279 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.425 ' O ' ' O ' ' A' ' 36' ' ' CYS . 0.7 OUTLIER -135.34 -176.17 4.18 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.132 . . . . 0.0 110.94 180.0 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.495 ' O ' ' HB ' ' A' ' 44' ' ' VAL . 0.9 OUTLIER -150.54 157.13 42.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 110.001 -179.972 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.675 ' CD2' ' HA ' ' A' ' 43' ' ' PRO . 0.2 OUTLIER -54.45 154.61 8.39 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.547 1.155 . . . . 0.0 111.005 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.675 ' HA ' ' CD2' ' A' ' 42' ' ' PHE . 18.4 Cg_endo -75.0 7.92 10.46 Favored 'Cis proline' 0 C--N 1.359 1.126 0 C-N-CA 121.032 -2.487 . . . . 0.0 110.955 0.046 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.525 HG23 ' CG ' ' A' ' 5' ' ' PHE . 2.1 t -70.75 -38.92 74.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 109.322 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.49 ' HB3' ' N ' ' A' ' 42' ' ' PHE . 0.4 OUTLIER -51.73 -25.42 7.39 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.48 1.112 . . . . 0.0 109.996 -179.974 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.57 ' HB2' ' CE1' ' A' ' 42' ' ' PHE . 1.9 tt0 -74.45 -30.77 62.02 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.514 1.134 . . . . 0.0 110.279 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -76.39 -38.66 55.38 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.538 1.149 . . . . 0.0 109.981 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . 0.41 ' SG ' ' N ' ' A' ' 36' ' ' CYS . 0.3 OUTLIER -53.92 -45.35 71.16 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 108.275 -179.971 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -76.08 -22.73 55.29 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.105 . . . . 0.0 109.307 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -76.22 -53.82 5.47 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.549 1.155 . . . . 0.0 111.003 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 2.2 tpt -86.23 21.64 1.99 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 0.762 . . . . 0.0 111.018 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.106 . . . . 0.0 109.312 179.992 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -54.33 -28.8 45.1 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.494 1.121 . . . . 0.0 110.297 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 61.8 m-20 -74.6 -11.17 60.13 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 109.358 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . 0.523 ' CG ' HG21 ' A' ' 44' ' ' VAL . 14.3 m-85 -123.25 16.95 9.86 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.48 1.113 . . . . 0.0 110.993 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . 0.528 ' CD2' ' HB3' ' A' ' 17' ' ' SER . 1.4 t80 -77.86 122.23 25.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 0.0 110.989 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 72.0 p -106.25 86.87 2.43 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.526 1.141 . . . . 0.0 110.418 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.26 -5.59 28.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.144 . . . . 0.0 110.017 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -74.13 -53.07 10.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 110.291 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' THR . . . . . 0.487 ' CG2' ' O ' ' A' ' 38' ' ' GLN . 0.2 OUTLIER -91.86 -27.53 17.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 0.0 110.371 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.471 ' SG ' ' CB ' ' A' ' 20' ' ' ALA . 18.3 t -63.92 136.55 96.78 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.133 . . . . 0.0 108.3 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.411 ' HD2' ' SG ' ' A' ' 11' ' ' CYS . 18.2 Cg_endo -75.03 -1.93 11.88 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.523 1.802 . . . . 0.0 110.987 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 98.2 m-85 -117.59 163.83 15.86 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.468 1.105 . . . . 0.0 110.964 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.431 ' HD3' ' N ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -155.67 30.23 0.37 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 109.347 179.969 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . 0.524 ' O ' ' CB ' ' A' ' 16' ' ' ASP . 18.4 m-20 -128.76 68.88 1.38 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.555 1.16 . . . . 0.0 109.276 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . 0.524 ' CB ' ' O ' ' A' ' 15' ' ' ASN . 3.7 t0 83.88 132.63 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.482 1.113 . . . . 0.0 109.296 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.528 ' HB3' ' CD2' ' A' ' 6' ' ' TYR . 42.9 p -65.28 -22.91 66.91 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 109.997 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.509 ' O ' ' CB ' ' A' ' 22' ' ' ASP . 40.5 mt-30 -68.6 -23.15 64.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.548 1.155 . . . . 0.0 110.293 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 51.9 tp -69.9 -55.22 10.28 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 109.309 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.471 ' CB ' ' SG ' ' A' ' 11' ' ' CYS . . . -68.92 -31.34 70.16 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.534 1.146 . . . . 0.0 109.287 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' TRP . . . . . 0.561 ' CD2' ' OG ' ' A' ' 25' ' ' SER . 7.3 t-105 -73.52 -45.74 51.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 0.0 108.03 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.509 ' CB ' ' O ' ' A' ' 18' ' ' GLN . 29.2 t0 -67.55 -9.9 46.85 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 109.346 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.466 ' CG2' ' OD1' ' A' ' 30' ' ' ASN . 0.8 OUTLIER -81.96 -54.4 5.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 110.377 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.412 ' CB ' ' HA ' ' A' ' 31' ' ' CYS . 0.0 OUTLIER -91.23 -59.03 2.26 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.13 . . . . 0.0 108.332 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.561 ' OG ' ' CD2' ' A' ' 21' ' ' TRP . 0.0 OUTLIER -75.32 54.57 0.73 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 109.992 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 O-C-N 124.468 1.105 . . . . 0.0 111.017 179.973 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . 0.466 ' OD1' ' CG2' ' A' ' 23' ' ' THR . 2.9 p-10 . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.412 ' HA ' ' CB ' ' A' ' 24' ' ' CYS . 15.5 p -69.61 129.9 40.92 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 108.305 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 178.23 -171.35 43.73 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.492 1.12 . . . . 0.0 110.989 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.414 ' HA ' ' SG ' ' A' ' 36' ' ' CYS . 87.2 m -85.25 -5.87 59.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 0.786 . . . . 0.0 110.408 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.487 ' O ' ' HB2' ' A' ' 38' ' ' GLN . 77.7 t -83.26 -34.73 11.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 109.286 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -62.82 -17.22 60.95 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.13 . . . . 0.0 108.265 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.42 ' SG ' ' O ' ' A' ' 45' ' ' SER . 72.2 m -54.72 -77.38 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 108.321 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -87.58 48.14 3.7 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.5 1.125 . . . . 0.0 110.992 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.487 ' O ' ' CG2' ' A' ' 10' ' ' THR . 4.0 tt0 -120.89 -56.08 1.96 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 0.771 . . . . 0.0 110.322 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 70.8 m -111.28 -17.98 13.04 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 0.0 108.292 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.412 ' CZ ' ' HB2' ' A' ' 21' ' ' TRP . 0.8 OUTLIER -135.25 175.83 9.23 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.534 1.147 . . . . 0.0 111.039 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.495 ' O ' ' HB ' ' A' ' 44' ' ' VAL . 3.1 m -141.33 158.48 43.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.544 1.153 . . . . 0.0 109.99 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.64 ' CD2' ' HA ' ' A' ' 43' ' ' PRO . 0.2 OUTLIER -55.36 154.79 10.87 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 111.021 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.64 ' HA ' ' CD2' ' A' ' 42' ' ' PHE . 18.2 Cg_endo -75.01 7.62 10.74 Favored 'Cis proline' 0 C--N 1.36 1.136 0 C-N-CA 120.989 -2.504 . . . . 0.0 110.981 0.023 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.523 HG21 ' CG ' ' A' ' 5' ' ' PHE . 2.0 t -70.65 -37.9 71.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.314 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.548 ' HB3' ' N ' ' A' ' 42' ' ' PHE . 0.2 OUTLIER -52.48 -18.24 1.59 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.138 . . . . 0.0 109.974 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.593 ' HB2' ' CE1' ' A' ' 42' ' ' PHE . 0.8 OUTLIER -87.54 -25.1 23.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.097 . . . . 0.0 110.28 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' SER . . . . . 0.449 ' N ' ' O ' ' A' ' 44' ' ' VAL . 0.8 OUTLIER -75.31 -38.36 60.31 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.124 . . . . 0.0 110.07 179.969 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -53.53 -66.41 0.4 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.474 1.109 . . . . 0.0 108.298 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -57.9 -18.21 21.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 109.295 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -78.58 -55.05 4.04 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.564 1.165 . . . . 0.0 111.037 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' MET . . . . . 0.442 ' HB3' ' CB ' ' A' ' 25' ' ' SER . 8.5 tpt -86.45 22.45 1.85 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.477 0.751 . . . . 0.0 111.037 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.123 . . . . 0.0 109.274 179.999 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -53.75 -28.75 36.28 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.462 1.101 . . . . 0.0 110.29 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 27.3 m-20 -74.4 -11.56 60.28 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 109.323 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . 0.426 ' CG ' HG21 ' A' ' 44' ' ' VAL . 13.6 m-85 -120.82 18.06 11.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 110.998 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . 0.583 ' CD1' ' OG ' ' A' ' 17' ' ' SER . 1.8 t80 -78.02 122.14 25.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.101 . . . . 0.0 110.998 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' THR . . . . . 0.419 ' OG1' ' O ' ' A' ' 7' ' ' THR . 9.2 p -109.0 89.13 2.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 110.404 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 36.0 t -75.93 -0.13 20.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 109.976 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -77.37 -41.62 39.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 110.307 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' THR . . . . . 0.469 ' CG2' ' O ' ' A' ' 38' ' ' GLN . 0.8 OUTLIER -107.38 -24.83 11.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 110.362 -179.953 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.417 ' SG ' ' CB ' ' A' ' 20' ' ' ALA . 33.9 t -64.39 136.3 96.7 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 0.0 108.326 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.408 ' HD2' ' SG ' ' A' ' 11' ' ' CYS . 18.4 Cg_endo -74.93 -1.99 11.93 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.478 1.778 . . . . 0.0 111.013 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 98.4 m-85 -123.08 148.92 45.09 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.54 1.15 . . . . 0.0 111.015 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.519 ' HZ1' ' ND2' ' A' ' 15' ' ' ASN . 0.0 OUTLIER -137.05 29.97 2.77 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.141 . . . . 0.0 109.329 -179.974 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . 0.519 ' ND2' ' HZ1' ' A' ' 14' ' ' LYS . 57.0 m-20 -125.51 74.16 1.38 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 109.278 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . 0.432 ' CB ' ' O ' ' A' ' 15' ' ' ASN . 0.2 OUTLIER 76.95 126.99 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 109.304 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.583 ' OG ' ' CD1' ' A' ' 6' ' ' TYR . 0.4 OUTLIER -61.94 -21.48 64.82 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.434 1.084 . . . . 0.0 109.986 -180.0 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 22.3 tt0 -70.65 -25.28 62.94 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.462 1.101 . . . . 0.0 110.262 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.431 ' CD2' ' HB2' ' A' ' 15' ' ' ASN . 40.1 tp -66.69 -55.42 15.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 0.0 109.295 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.417 ' CB ' ' SG ' ' A' ' 11' ' ' CYS . . . -63.48 -27.87 69.57 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.486 1.116 . . . . 0.0 109.333 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' TRP . . . . . 0.563 ' HB2' ' CZ ' ' A' ' 40' ' ' PHE . 4.5 t-105 -76.3 -42.14 46.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.576 1.172 . . . . 0.0 107.982 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -64.86 -15.31 61.73 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.443 1.09 . . . . 0.0 109.328 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -83.22 -50.9 7.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 110.339 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.435 ' SG ' ' N ' ' A' ' 25' ' ' SER . 0.0 OUTLIER -87.82 -71.63 0.56 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 108.292 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.549 ' OG ' ' CD2' ' A' ' 21' ' ' TRP . 0.0 OUTLIER -78.49 52.6 1.18 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 110.032 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.037 0 O-C-N 124.449 1.093 . . . . 0.0 110.995 -179.992 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . 0.41 ' OD1' ' C ' ' A' ' 30' ' ' ASN . 43.9 p30 . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.276 -0.639 . . . . 0.0 109.276 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.409 ' SG ' ' O ' ' A' ' 52' ' ' ALA . 0.7 OUTLIER -57.79 131.42 50.28 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 108.276 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -175.85 -176.62 44.22 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.56 1.162 . . . . 0.0 110.965 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.415 ' HA ' ' SG ' ' A' ' 36' ' ' CYS . 94.7 m -85.41 -6.57 59.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 0.79 . . . . 0.0 110.397 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.478 ' O ' ' HB2' ' A' ' 38' ' ' GLN . 89.0 t -80.87 -34.89 14.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 0.0 109.291 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -62.6 -16.72 57.91 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 0.0 108.328 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.433 ' SG ' ' O ' ' A' ' 45' ' ' SER . 70.6 m -55.08 -77.39 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.498 1.124 . . . . 0.0 108.333 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -87.7 49.21 3.82 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.501 1.126 . . . . 0.0 111.042 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.478 ' HB2' ' O ' ' A' ' 34' ' ' VAL . 4.7 tt0 -120.96 -58.58 1.8 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.445 0.732 . . . . 0.0 110.315 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 62.1 m -112.43 -14.25 13.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 108.286 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.563 ' CZ ' ' HB2' ' A' ' 21' ' ' TRP . 1.1 m-85 -135.26 173.85 11.26 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 110.962 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.501 ' O ' ' HB ' ' A' ' 44' ' ' VAL . 2.3 m -141.68 157.28 45.26 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.477 1.11 . . . . 0.0 109.947 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.656 ' CD2' ' HA ' ' A' ' 43' ' ' PRO . 0.2 OUTLIER -54.51 154.36 8.93 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.108 . . . . 0.0 110.975 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.656 ' HA ' ' CD2' ' A' ' 42' ' ' PHE . 18.3 Cg_endo -74.95 7.46 10.75 Favored 'Cis proline' 0 C--N 1.36 1.178 0 C-N-CA 120.977 -2.51 . . . . 0.0 110.989 -0.06 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.501 ' HB ' ' O ' ' A' ' 41' ' ' SER . 2.1 t -70.09 -37.88 73.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 109.325 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.528 ' HB3' ' N ' ' A' ' 42' ' ' PHE . 0.2 OUTLIER -52.16 -17.88 1.27 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.559 1.162 . . . . 0.0 110.005 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.603 ' HB2' ' CE1' ' A' ' 42' ' ' PHE . 27.8 tp60 -87.29 -29.9 21.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.449 1.093 . . . . 0.0 110.328 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' SER . . . . . 0.413 ' N ' ' O ' ' A' ' 44' ' ' VAL . 2.9 t -70.62 -37.68 73.86 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.568 1.167 . . . . 0.0 109.97 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . 0.401 ' SG ' ' N ' ' A' ' 36' ' ' CYS . 0.5 OUTLIER -54.05 -67.56 0.25 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.442 1.089 . . . . 0.0 108.261 -179.964 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -57.45 -17.88 15.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 109.331 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -79.19 -55.12 3.83 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.509 1.13 . . . . 0.0 111.029 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' MET . . . . . 0.431 ' HB3' ' CB ' ' A' ' 25' ' ' SER . 0.0 OUTLIER -85.46 15.7 4.31 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 0.762 . . . . 0.0 110.999 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.409 ' O ' ' SG ' ' A' ' 31' ' ' CYS . . . . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.297 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -54.2 -29.88 47.71 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.531 1.145 . . . . 0.0 110.296 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -74.42 -14.69 60.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 109.309 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . 0.529 ' CG ' HG21 ' A' ' 44' ' ' VAL . 17.1 m-85 -118.69 18.18 13.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 111.014 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . 0.544 ' CG ' ' HB3' ' A' ' 17' ' ' SER . 4.7 t80 -78.09 126.25 30.54 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 111.021 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' THR . . . . . 0.414 ' O ' ' HB2' ' A' ' 11' ' ' CYS . 56.4 p -109.08 84.02 1.85 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.111 . . . . 0.0 110.392 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 22.9 t -70.37 -4.44 22.32 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.462 1.101 . . . . 0.0 110.004 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.77 -50.29 17.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.109 . . . . 0.0 110.306 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' THR . . . . . 0.498 ' CG2' ' O ' ' A' ' 38' ' ' GLN . 0.0 OUTLIER -96.08 -25.62 15.82 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 0.0 110.415 179.974 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.421 ' SG ' ' CB ' ' A' ' 20' ' ' ALA . 16.8 t -63.75 136.28 96.65 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.532 1.145 . . . . 0.0 108.319 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.403 ' HD2' ' SG ' ' A' ' 11' ' ' CYS . 18.2 Cg_endo -74.97 -6.4 18.03 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.497 1.788 . . . . 0.0 111.009 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.465 ' CD1' HD23 ' A' ' 19' ' ' LEU . 68.9 m-85 -118.69 146.7 44.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.138 . . . . 0.0 111.011 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.54 35.07 2.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.105 . . . . 0.0 109.298 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . 0.556 ' O ' ' CB ' ' A' ' 16' ' ' ASP . 13.8 m-20 -126.56 63.46 1.28 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.444 1.09 . . . . 0.0 109.286 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . 0.556 ' CB ' ' O ' ' A' ' 15' ' ' ASN . 3.5 t70 86.06 145.25 0.06 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.132 . . . . 0.0 109.28 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.544 ' HB3' ' CG ' ' A' ' 6' ' ' TYR . 85.1 p -73.15 -31.83 64.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.135 . . . . 0.0 109.981 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.517 ' O ' ' CB ' ' A' ' 22' ' ' ASP . 80.9 mt-30 -63.8 -16.94 62.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 110.28 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.465 HD23 ' CD1' ' A' ' 13' ' ' TYR . 24.9 tp -73.7 -59.69 2.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.314 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.421 ' CB ' ' SG ' ' A' ' 11' ' ' CYS . . . -66.9 -26.58 66.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 109.288 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' TRP . . . . . 0.606 ' CE3' ' OG ' ' A' ' 25' ' ' SER . 5.0 t-105 -78.19 -41.96 32.94 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.122 . . . . 0.0 108.018 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.517 ' CB ' ' O ' ' A' ' 18' ' ' GLN . 3.1 t70 -64.47 -13.2 50.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.541 1.151 . . . . 0.0 109.314 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.419 HG23 ' N ' ' A' ' 24' ' ' CYS . 0.9 OUTLIER -98.85 -59.92 1.64 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 110.376 -179.974 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.533 ' SG ' ' N ' ' A' ' 25' ' ' SER . 0.4 OUTLIER -66.59 -54.1 27.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 108.309 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.606 ' OG ' ' CE3' ' A' ' 21' ' ' TRP . 0.0 OUTLIER -93.6 54.5 2.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.135 . . . . 0.0 110.059 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.017 0 O-C-N 124.5 1.125 . . . . 0.0 110.99 -179.932 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.33 -0.618 . . . . 0.0 109.33 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.505 ' CB ' ' O ' ' A' ' 24' ' ' CYS . 21.5 p -85.1 150.08 25.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 108.375 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 162.94 179.88 37.76 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.544 1.153 . . . . 0.0 111.005 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.401 ' O ' ' SG ' ' A' ' 36' ' ' CYS . 98.9 m -85.01 -5.17 59.36 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.554 0.796 . . . . 0.0 110.43 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.439 ' O ' ' HB2' ' A' ' 38' ' ' GLN . 91.3 t -74.68 -41.1 47.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 109.272 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -63.15 -14.98 55.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 108.292 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.537 ' SG ' ' N ' ' A' ' 37' ' ' GLY . 0.7 OUTLIER -53.64 -52.75 58.9 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.114 . . . . 0.0 108.319 179.974 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.537 ' N ' ' SG ' ' A' ' 36' ' ' CYS . . . -114.88 41.39 2.18 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.505 1.128 . . . . 0.0 110.986 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.498 ' O ' ' CG2' ' A' ' 10' ' ' THR . 2.9 tp60 -120.29 -49.58 2.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.459 0.741 . . . . 0.0 110.327 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 68.9 m -112.46 -23.06 10.51 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 0.0 108.314 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.57 ' CZ ' ' HB2' ' A' ' 21' ' ' TRP . 0.8 OUTLIER -135.44 -175.12 3.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 0.0 110.991 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.5 ' O ' ' HB ' ' A' ' 44' ' ' VAL . 0.3 OUTLIER -151.48 157.08 41.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 109.992 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.627 ' CG ' ' HA ' ' A' ' 43' ' ' PRO . 0.2 OUTLIER -54.91 155.1 8.65 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.148 . . . . 0.0 110.97 -179.966 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.627 ' HA ' ' CG ' ' A' ' 42' ' ' PHE . 18.2 Cg_endo -74.96 8.28 10.1 Favored 'Cis proline' 0 C--N 1.361 1.193 0 C-N-CA 121.036 -2.485 . . . . 0.0 111.023 -0.057 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.529 HG21 ' CG ' ' A' ' 5' ' ' PHE . 2.1 t -70.97 -38.43 72.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.12 . . . . 0.0 109.319 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.54 ' HB3' ' N ' ' A' ' 42' ' ' PHE . 0.1 OUTLIER -51.18 -21.15 1.85 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.115 . . . . 0.0 110.001 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.579 ' HB2' ' CE1' ' A' ' 42' ' ' PHE . 1.1 tt0 -80.8 -29.98 35.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 110.301 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' SER . . . . . 0.436 ' N ' ' O ' ' A' ' 44' ' ' VAL . 0.5 OUTLIER -75.81 -36.34 59.76 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.494 1.122 . . . . 0.0 110.011 179.985 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -54.92 -61.0 2.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 108.259 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.88 -12.95 58.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 109.282 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -83.01 -53.84 3.37 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.467 1.104 . . . . 0.0 111.021 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 8.1 tpt -86.28 20.35 2.41 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.521 0.777 . . . . 0.0 111.027 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 109.321 179.968 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -53.75 -29.69 40.91 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.521 1.138 . . . . 0.0 110.307 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -74.61 -13.63 60.67 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.506 1.128 . . . . 0.0 109.324 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . 0.523 ' CG ' HG23 ' A' ' 44' ' ' VAL . 14.7 m-85 -119.93 20.18 12.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 110.968 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . 0.53 ' CG ' ' HB3' ' A' ' 17' ' ' SER . 2.3 t80 -78.36 121.91 25.09 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.499 1.124 . . . . 0.0 110.987 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' THR . . . . . 0.413 ' O ' ' HB2' ' A' ' 11' ' ' CYS . 44.6 p -105.88 85.32 2.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 110.461 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.3 t -72.09 -2.68 19.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 109.944 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -75.8 -48.74 20.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.461 1.101 . . . . 0.0 110.317 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' THR . . . . . 0.499 ' CG2' ' O ' ' A' ' 38' ' ' GLN . 0.0 OUTLIER -98.81 -25.19 14.72 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.128 . . . . 0.0 110.395 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.454 ' SG ' ' HD2' ' A' ' 12' ' ' PRO . 20.2 t -63.72 137.43 97.09 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 108.299 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.478 ' HG2' ' CE2' ' A' ' 13' ' ' TYR . 18.2 Cg_endo -75.01 -3.82 14.5 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.478 1.778 . . . . 0.0 110.966 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.573 ' CD1' HD11 ' A' ' 19' ' ' LEU . 66.9 m-85 -127.72 138.73 52.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 110.966 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.83 29.99 4.38 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.514 1.134 . . . . 0.0 109.314 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -95.88 -42.27 8.4 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.45 1.094 . . . . 0.0 109.331 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -165.24 149.26 8.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.444 1.09 . . . . 0.0 109.326 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.53 ' HB3' ' CG ' ' A' ' 6' ' ' TYR . 15.8 p -69.33 -36.91 77.42 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.483 1.114 . . . . 0.0 109.998 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 3.6 mt-30 -71.52 -23.4 61.77 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 110.296 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.573 HD11 ' CD1' ' A' ' 13' ' ' TYR . 0.4 OUTLIER -64.0 -60.34 3.37 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.457 1.098 . . . . 0.0 109.295 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.42 ' N ' HD13 ' A' ' 19' ' ' LEU . . . -59.74 -34.53 73.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.551 1.157 . . . . 0.0 109.339 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' TRP . . . . . 0.581 ' HB2' ' CZ ' ' A' ' 40' ' ' PHE . 1.8 t-105 -68.97 -40.46 78.83 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 107.938 -1.134 . . . . 0.0 107.938 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -64.3 -13.42 49.83 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.139 . . . . 0.0 109.277 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -87.27 -55.09 3.96 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 110.416 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.455 ' SG ' ' N ' ' A' ' 25' ' ' SER . 0.0 OUTLIER -81.77 -68.8 0.66 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 108.318 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.549 ' OG ' ' CD2' ' A' ' 21' ' ' TRP . 0.0 OUTLIER -80.83 51.16 1.47 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 109.988 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.025 0 O-C-N 124.545 1.153 . . . . 0.0 110.961 -179.971 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.413 ' CB ' ' O ' ' A' ' 24' ' ' CYS . 1.5 p -69.26 150.81 47.0 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.502 1.126 . . . . 0.0 108.317 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 152.28 176.33 24.82 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.546 1.154 . . . . 0.0 110.996 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.402 ' O ' ' SG ' ' A' ' 36' ' ' CYS . 89.5 m -72.96 -3.45 26.03 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.494 0.761 . . . . 0.0 110.351 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.434 ' O ' ' HB2' ' A' ' 38' ' ' GLN . 60.7 t -70.09 -53.0 25.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.118 . . . . 0.0 109.29 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -62.04 -16.67 53.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 108.286 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.478 ' SG ' ' N ' ' A' ' 37' ' ' GLY . 0.3 OUTLIER -55.37 -51.27 67.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.558 1.161 . . . . 0.0 108.333 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.478 ' N ' ' SG ' ' A' ' 36' ' ' CYS . . . -116.0 42.55 1.86 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.496 1.122 . . . . 0.0 111.004 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.499 ' O ' ' CG2' ' A' ' 10' ' ' THR . 10.8 tt0 -120.91 -53.25 2.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 0.751 . . . . 0.0 110.276 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 85.3 m -111.25 -18.39 12.96 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.54 1.15 . . . . 0.0 108.273 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.581 ' CZ ' ' HB2' ' A' ' 21' ' ' TRP . 1.5 m-85 -135.87 177.53 7.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.142 . . . . 0.0 110.974 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.527 ' O ' ' HB ' ' A' ' 44' ' ' VAL . 1.0 OUTLIER -148.72 156.33 42.23 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.475 1.11 . . . . 0.0 109.961 -179.952 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.619 ' CG ' ' HA ' ' A' ' 43' ' ' PRO . 0.2 OUTLIER -53.12 154.38 5.53 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.555 1.159 . . . . 0.0 111.009 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.619 ' HA ' ' CG ' ' A' ' 42' ' ' PHE . 18.3 Cg_endo -75.0 9.95 8.97 Favored 'Cis proline' 0 C--N 1.36 1.182 0 C-N-CA 120.983 -2.507 . . . . 0.0 111.021 -0.027 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.531 ' N ' ' HA ' ' A' ' 42' ' ' PHE . 2.4 t -70.94 -39.79 75.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.138 . . . . 0.0 109.255 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.49 ' HB3' ' N ' ' A' ' 42' ' ' PHE . 0.1 OUTLIER -51.6 -19.8 1.69 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 0.0 110.035 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.577 ' HB2' ' CE1' ' A' ' 42' ' ' PHE . 0.8 OUTLIER -78.22 -31.51 49.38 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 110.31 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 3.6 m -76.64 -42.65 41.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.452 1.095 . . . . 0.0 109.975 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . 0.451 ' SG ' ' N ' ' A' ' 36' ' ' CYS . 1.2 t -54.5 -59.3 4.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 108.313 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.66 -13.49 59.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.319 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -84.66 -53.35 3.24 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.497 1.123 . . . . 0.0 111.006 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 4.0 tpp -85.63 15.41 4.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 0.765 . . . . 0.0 110.998 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.401 ' O ' ' SG ' ' A' ' 31' ' ' CYS . . . . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.452 1.095 . . . . 0.0 109.306 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.95 -30.65 47.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 110.296 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -74.24 -4.58 36.91 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.139 . . . . 0.0 109.285 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 14.5 m-85 -127.88 14.09 6.87 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 0.0 111.001 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . 0.55 ' CG ' ' HB3' ' A' ' 17' ' ' SER . 4.7 t80 -78.63 129.4 34.71 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.514 1.134 . . . . 0.0 111.03 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 22.1 p -116.19 91.67 3.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 110.417 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -73.81 -2.24 22.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 109.983 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -76.47 -42.81 42.38 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 110.279 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 10.1 t -103.04 -26.44 13.06 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 110.397 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.402 ' SG ' ' HD2' ' A' ' 12' ' ' PRO . 16.1 t -63.81 136.18 96.61 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 108.283 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.402 ' HD2' ' SG ' ' A' ' 11' ' ' CYS . 18.3 Cg_endo -75.0 -21.19 16.11 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.524 1.802 . . . . 0.0 111.041 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 85.2 m-85 -103.54 178.53 4.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.141 . . . . 0.0 110.996 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.453 ' HD2' ' N ' ' A' ' 15' ' ' ASN . 0.7 OUTLIER -155.39 -155.26 0.55 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 109.265 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . 0.453 ' N ' ' HD2' ' A' ' 14' ' ' LYS . 1.4 t30 77.03 -63.14 0.38 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.547 1.154 . . . . 0.0 109.299 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -149.31 163.2 38.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 109.335 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.55 ' HB3' ' CG ' ' A' ' 6' ' ' TYR . 77.4 p -81.12 -29.2 34.87 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.111 . . . . 0.0 109.97 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 28.1 tt0 -66.01 -16.92 64.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.415 1.072 . . . . 0.0 110.333 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 26.2 tp -72.32 -64.68 0.9 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.434 1.083 . . . . 0.0 109.322 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.4 ' CB ' ' SG ' ' A' ' 11' ' ' CYS . . . -59.23 -27.26 65.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.539 1.15 . . . . 0.0 109.31 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' TRP . . . . . 0.587 ' CZ2' ' CB ' ' A' ' 51' ' ' MET . 10.2 t-105 -71.21 -40.54 71.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.13 . . . . 0.0 107.989 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -68.76 -17.04 63.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 109.297 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.416 HG21 ' N ' ' A' ' 24' ' ' CYS . 0.8 OUTLIER -75.05 -55.73 5.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 110.416 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.446 ' CB ' ' HA ' ' A' ' 31' ' ' CYS . 0.0 OUTLIER -91.09 -66.99 0.88 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 108.322 179.958 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.532 ' HB2' ' CE2' ' A' ' 21' ' ' TRP . 0.1 OUTLIER -76.98 53.43 0.94 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.127 . . . . 0.0 110.032 179.975 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.027 0 O-C-N 124.514 1.134 . . . . 0.0 110.975 -179.939 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 30.8 p30 . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.446 ' HA ' ' CB ' ' A' ' 24' ' ' CYS . 0.6 OUTLIER -55.63 146.87 19.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.148 . . . . 0.0 108.268 -179.951 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 164.49 -176.41 40.38 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.457 1.098 . . . . 0.0 110.993 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 92.4 m -84.93 -6.25 59.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 0.765 . . . . 0.0 110.377 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.549 ' CG1' ' NE2' ' A' ' 38' ' ' GLN . 25.2 t -83.68 -33.34 9.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.507 1.13 . . . . 0.0 109.304 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -62.39 -19.94 63.93 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.542 1.151 . . . . 0.0 108.311 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.44 ' HB3' ' OG ' ' A' ' 45' ' ' SER . 59.2 m -54.23 -76.83 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.558 1.161 . . . . 0.0 108.327 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -85.24 45.99 3.6 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.481 1.113 . . . . 0.0 111.061 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.549 ' NE2' ' CG1' ' A' ' 34' ' ' VAL . 0.4 OUTLIER -120.31 -35.73 3.37 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.52 0.777 . . . . 0.0 110.25 -179.945 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 70.8 m -130.01 -43.95 1.19 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.103 . . . . 0.0 108.271 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.526 ' CZ ' ' HB2' ' A' ' 21' ' ' TRP . 0.4 OUTLIER -110.06 175.9 5.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.15 . . . . 0.0 111.005 -179.961 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.502 ' C ' ' H ' ' A' ' 45' ' ' SER . 0.7 OUTLIER -139.35 159.3 42.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 110.025 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.659 ' CD2' ' HA ' ' A' ' 43' ' ' PRO . 0.2 OUTLIER -54.13 154.22 8.19 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.138 . . . . 0.0 111.013 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.659 ' HA ' ' CD2' ' A' ' 42' ' ' PHE . 18.2 Cg_endo -75.03 6.37 11.81 Favored 'Cis proline' 0 C--N 1.361 1.187 0 C-N-CA 120.924 -2.532 . . . . 0.0 111.023 -0.029 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.48 ' HB ' ' O ' ' A' ' 41' ' ' SER . 2.2 t -70.12 -37.9 73.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.553 1.158 . . . . 0.0 109.286 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.518 ' HB3' ' N ' ' A' ' 42' ' ' PHE . 0.9 OUTLIER -52.61 -19.0 2.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 109.974 -179.959 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.6 ' HB2' ' CE1' ' A' ' 42' ' ' PHE . 0.5 OUTLIER -87.21 -24.05 24.56 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 0.0 110.287 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' SER . . . . . 0.452 ' N ' ' O ' ' A' ' 44' ' ' VAL . 8.7 m -75.52 -38.02 59.7 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.104 . . . . 0.0 110.036 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . 0.435 ' SG ' ' N ' ' A' ' 36' ' ' CYS . 0.1 OUTLIER -53.6 -63.54 1.12 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.45 1.094 . . . . 0.0 108.288 179.973 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.53 -15.15 24.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.562 1.163 . . . . 0.0 109.28 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -82.51 -53.48 3.59 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.498 1.124 . . . . 0.0 110.957 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' MET . . . . . 0.587 ' CB ' ' CZ2' ' A' ' 21' ' ' TRP . 1.7 tpt -85.3 13.19 6.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 0.762 . . . . 0.0 110.989 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 109.243 -179.951 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 1.5 pt . . . . . 0 N--CA 1.452 -0.34 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.99 -27.03 28.99 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.141 . . . . 0.0 110.29 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -74.38 -10.11 59.26 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.47 1.107 . . . . 0.0 109.27 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 20.7 m-85 -122.14 14.82 10.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 110.996 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . 0.565 ' CG ' ' HB2' ' A' ' 17' ' ' SER . 3.8 t80 -77.74 122.24 25.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 111.05 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' THR . . . . . 0.41 ' OG1' ' O ' ' A' ' 7' ' ' THR . 8.6 p -107.87 91.24 3.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 110.403 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -72.78 -3.09 23.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 110.0 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -76.34 -47.73 22.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 110.303 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' THR . . . . . 0.489 ' CG2' ' O ' ' A' ' 38' ' ' GLN . 0.5 OUTLIER -96.8 -25.41 15.5 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.519 1.137 . . . . 0.0 110.422 179.967 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.436 ' SG ' ' HD2' ' A' ' 12' ' ' PRO . 22.3 t -64.24 136.99 96.98 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 108.287 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.436 ' HD2' ' SG ' ' A' ' 11' ' ' CYS . 18.2 Cg_endo -75.05 -23.97 13.2 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.491 1.785 . . . . 0.0 110.994 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 64.5 m-85 -109.72 177.1 4.83 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.518 1.136 . . . . 0.0 111.009 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.436 ' HG2' ' N ' ' A' ' 15' ' ' ASN . 0.0 OUTLIER -152.05 -142.95 0.13 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.567 1.167 . . . . 0.0 109.303 -179.998 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . 0.436 ' N ' ' HG2' ' A' ' 14' ' ' LYS . 1.0 OUTLIER 73.18 -63.88 0.42 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.493 1.121 . . . . 0.0 109.303 179.965 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -149.26 156.34 41.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 109.277 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.565 ' HB2' ' CG ' ' A' ' 6' ' ' TYR . 11.4 t -75.61 -30.77 59.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.435 1.085 . . . . 0.0 109.949 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -64.64 -16.92 63.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 110.334 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 36.7 tp -73.14 -65.9 0.75 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.471 1.107 . . . . 0.0 109.3 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -59.25 -24.62 63.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.453 1.096 . . . . 0.0 109.264 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' TRP . . . . . 0.587 ' CE2' ' OG ' ' A' ' 25' ' ' SER . 7.9 t-105 -75.29 -50.03 17.33 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.504 1.127 . . . . 0.0 108.022 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.429 ' OD1' ' O ' ' A' ' 22' ' ' ASP . 46.8 t0 -63.63 -12.91 37.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 109.29 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -78.15 -54.87 5.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 110.417 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -85.36 -58.3 2.73 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.484 1.115 . . . . 0.0 108.336 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.587 ' OG ' ' CE2' ' A' ' 21' ' ' TRP . 76.8 p -76.24 51.89 0.72 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.996 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.03 0 O-C-N 124.555 1.16 . . . . 0.0 110.985 179.993 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 2.1 p30 . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -54.81 150.49 9.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.548 1.155 . . . . 0.0 108.284 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 156.13 -170.51 33.83 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.502 1.126 . . . . 0.0 111.023 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.42 ' HA ' ' SG ' ' A' ' 36' ' ' CYS . 91.4 m -85.38 -6.3 59.24 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 0.788 . . . . 0.0 110.373 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.496 ' O ' ' HB2' ' A' ' 38' ' ' GLN . 81.6 t -82.04 -34.05 12.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.545 1.153 . . . . 0.0 109.27 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -63.48 -21.36 66.27 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.454 1.096 . . . . 0.0 108.337 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.466 ' SG ' ' CB ' ' A' ' 49' ' ' ALA . 64.4 m -54.51 -78.46 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.476 1.11 . . . . 0.0 108.27 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -85.77 49.62 4.18 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.518 1.136 . . . . 0.0 110.986 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.496 ' HB2' ' O ' ' A' ' 34' ' ' VAL . 0.8 OUTLIER -120.02 -59.74 1.76 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 0.741 . . . . 0.0 110.262 179.979 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 62.7 m -112.54 -13.99 13.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 108.32 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -134.75 174.48 10.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.125 . . . . 0.0 111.026 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.497 ' O ' ' HB ' ' A' ' 44' ' ' VAL . 3.1 m -142.53 158.03 44.11 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.552 1.158 . . . . 0.0 110.019 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.673 ' CD2' ' HA ' ' A' ' 43' ' ' PRO . 0.2 OUTLIER -54.52 154.6 8.56 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.147 . . . . 0.0 111.048 179.956 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.673 ' HA ' ' CD2' ' A' ' 42' ' ' PHE . 18.1 Cg_endo -75.05 6.88 11.47 Favored 'Cis proline' 0 C--N 1.359 1.127 0 C-N-CA 121.007 -2.497 . . . . 0.0 110.953 0.055 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.497 ' HB ' ' O ' ' A' ' 41' ' ' SER . 2.2 t -69.95 -37.88 73.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.434 1.084 . . . . 0.0 109.272 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.542 ' HB3' ' N ' ' A' ' 42' ' ' PHE . 0.2 OUTLIER -51.89 -18.07 1.19 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.11 . . . . 0.0 110.001 -179.984 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.604 ' HB2' ' CE1' ' A' ' 42' ' ' PHE . 49.2 tp60 -87.28 -29.41 21.66 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.464 1.102 . . . . 0.0 110.293 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' SER . . . . . 0.425 ' N ' ' O ' ' A' ' 44' ' ' VAL . 4.2 t -70.81 -39.0 73.33 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.476 1.11 . . . . 0.0 109.976 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . 0.418 ' SG ' ' N ' ' A' ' 36' ' ' CYS . 0.1 OUTLIER -53.62 -69.42 0.12 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 108.286 179.979 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.466 ' CB ' ' SG ' ' A' ' 36' ' ' CYS . . . -58.06 -17.64 19.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 109.284 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -76.69 -63.27 2.36 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.449 1.093 . . . . 0.0 110.995 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' MET . . . . . 0.467 ' O ' ' HG3' ' A' ' 51' ' ' MET . 29.0 tpp -74.52 -2.57 26.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 0.763 . . . . 0.0 110.938 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.47 1.106 . . . . 0.0 109.29 179.985 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.452 -0.334 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -55.15 -29.41 57.7 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 110.311 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -74.58 -3.52 31.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 109.333 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 11.6 m-85 -128.99 19.3 6.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 111.055 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . 0.508 ' CG ' ' HB3' ' A' ' 17' ' ' SER . 3.0 t80 -78.31 116.32 18.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.099 . . . . 0.0 111.033 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' THR . . . . . 0.421 ' OG1' ' O ' ' A' ' 7' ' ' THR . 7.7 p -102.83 90.04 3.66 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 110.399 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 23.1 t -75.18 0.13 17.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.458 1.099 . . . . 0.0 110.017 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -77.86 -43.23 30.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 110.294 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' THR . . . . . 0.497 ' CG2' ' O ' ' A' ' 38' ' ' GLN . 0.1 OUTLIER -105.52 -23.46 12.79 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 110.402 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.477 ' SG ' ' HD2' ' A' ' 12' ' ' PRO . 31.0 t -64.24 138.21 97.35 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 108.308 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.558 ' HG2' ' CE2' ' A' ' 13' ' ' TYR . 18.3 Cg_endo -75.07 -14.87 20.86 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.5 1.789 . . . . 0.0 111.009 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.558 ' CE2' ' HG2' ' A' ' 12' ' ' PRO . 26.3 m-85 -112.46 145.82 39.52 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.474 1.109 . . . . 0.0 110.995 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.444 ' HD3' ' N ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -135.78 31.16 3.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 109.279 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -100.43 -45.63 5.5 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.128 . . . . 0.0 109.306 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -165.48 154.49 12.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 109.306 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.508 ' HB3' ' CG ' ' A' ' 6' ' ' TYR . 78.4 p -73.41 -34.52 65.54 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 110.016 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -72.5 -26.07 61.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 110.273 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.556 ' CD1' ' N ' ' A' ' 20' ' ' ALA . 0.3 OUTLIER -63.89 -59.91 3.93 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 109.311 -179.965 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.556 ' N ' ' CD1' ' A' ' 19' ' ' LEU . . . -59.74 -33.23 71.39 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 0.0 109.343 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' TRP . . . . . 0.574 ' CD2' ' OG ' ' A' ' 25' ' ' SER . 4.6 t-105 -67.47 -38.18 84.01 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -65.25 -12.85 55.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 0.0 109.242 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -90.13 -69.65 0.71 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 110.376 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.497 ' O ' ' CB ' ' A' ' 31' ' ' CYS . 0.0 OUTLIER -67.0 -65.01 0.73 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 108.324 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.574 ' OG ' ' CD2' ' A' ' 21' ' ' TRP . 0.0 OUTLIER -78.24 53.31 1.22 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 110.007 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.994 0 O-C-N 124.466 1.104 . . . . 0.0 111.021 -179.974 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 1.1 p-10 . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.497 ' CB ' ' O ' ' A' ' 24' ' ' CYS . 11.6 p -84.61 138.28 32.8 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.539 1.149 . . . . 0.0 108.309 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 174.54 -178.32 46.38 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.522 1.139 . . . . 0.0 110.977 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.407 ' O ' ' SG ' ' A' ' 36' ' ' CYS . 96.4 m -83.04 -4.87 58.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 0.748 . . . . 0.0 110.44 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.404 ' O ' ' HB2' ' A' ' 38' ' ' GLN . 71.9 t -74.97 -41.35 45.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.522 1.139 . . . . 0.0 109.299 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -63.79 -13.53 45.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 108.329 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.537 ' SG ' ' N ' ' A' ' 37' ' ' GLY . 0.7 OUTLIER -54.64 -52.58 61.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.117 . . . . 0.0 108.274 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.537 ' N ' ' SG ' ' A' ' 36' ' ' CYS . . . -113.84 39.14 2.92 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.491 1.12 . . . . 0.0 110.96 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.497 ' O ' ' CG2' ' A' ' 10' ' ' THR . 18.4 tp60 -120.68 -45.99 2.38 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.53 0.783 . . . . 0.0 110.282 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.61 ' HB3' ' CE1' ' A' ' 40' ' ' PHE . 0.5 OUTLIER -111.99 -26.73 8.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 108.294 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.61 ' CE1' ' HB3' ' A' ' 39' ' ' CYS . 0.6 OUTLIER -135.55 -172.83 3.18 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.534 1.146 . . . . 0.0 111.013 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.51 ' O ' ' HB ' ' A' ' 44' ' ' VAL . 0.0 OUTLIER -150.93 157.06 42.43 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 110.016 -179.957 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.639 ' CG ' ' HA ' ' A' ' 43' ' ' PRO . 0.2 OUTLIER -55.65 155.49 10.7 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 111.001 -179.991 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.639 ' HA ' ' CG ' ' A' ' 42' ' ' PHE . 18.3 Cg_endo -74.99 8.44 10.03 Favored 'Cis proline' 0 C--N 1.36 1.134 0 C-N-CA 120.997 -2.501 . . . . 0.0 111.055 -0.022 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.51 ' HB ' ' O ' ' A' ' 41' ' ' SER . 2.1 t -71.15 -38.73 72.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 109.27 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.542 ' HB3' ' N ' ' A' ' 42' ' ' PHE . 0.1 OUTLIER -51.09 -21.81 2.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.447 1.092 . . . . 0.0 109.988 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.571 ' HB2' ' CE1' ' A' ' 42' ' ' PHE . 2.1 tt0 -77.65 -31.58 52.75 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.545 1.153 . . . . 0.0 110.279 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' SER . . . . . 0.417 ' N ' ' O ' ' A' ' 44' ' ' VAL . 1.4 m -76.83 -37.58 55.4 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 0.0 109.975 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -53.94 -50.22 66.95 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.543 1.152 . . . . 0.0 108.273 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -72.31 -23.03 61.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.546 1.154 . . . . 0.0 109.297 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -74.51 -52.5 7.35 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.51 1.131 . . . . 0.0 111.034 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' MET . . . . . 0.455 ' CB ' ' CZ2' ' A' ' 21' ' ' TRP . 9.1 tpt -86.55 22.6 1.84 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 0.782 . . . . 0.0 111.042 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.447 0 O-C-N 124.492 1.12 . . . . 0.0 109.278 -179.946 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -54.19 -29.24 45.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 110.317 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -74.44 -9.54 58.69 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.545 1.153 . . . . 0.0 109.331 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 20.5 m-85 -124.74 20.84 8.46 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.433 1.083 . . . . 0.0 111.011 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . 0.455 ' CG ' ' HB3' ' A' ' 17' ' ' SER . 3.3 t80 -78.72 118.89 21.22 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.496 1.123 . . . . 0.0 110.966 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' THR . . . . . 0.423 ' O ' ' HB2' ' A' ' 11' ' ' CYS . 69.9 p -104.2 87.44 2.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 110.431 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 14.3 t -72.23 -2.1 17.64 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.51 1.131 . . . . 0.0 109.999 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -77.66 -49.47 14.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.458 1.099 . . . . 0.0 110.314 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' THR . . . . . 0.492 ' CG2' ' O ' ' A' ' 38' ' ' GLN . 0.6 OUTLIER -97.82 -23.96 15.64 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.123 . . . . 0.0 110.402 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.45 ' SG ' ' HD2' ' A' ' 12' ' ' PRO . 36.8 t -63.82 137.65 97.16 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.117 . . . . 0.0 108.305 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.45 ' HD2' ' SG ' ' A' ' 11' ' ' CYS . 18.4 Cg_endo -74.99 -8.85 20.45 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.494 1.786 . . . . 0.0 111.025 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.422 ' CD1' HD21 ' A' ' 19' ' ' LEU . 90.7 m-85 -113.46 149.4 34.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.56 1.162 . . . . 0.0 110.989 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.459 ' HD3' ' N ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -137.22 32.22 2.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 109.309 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 19.3 t-20 -102.76 -53.04 2.94 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 109.322 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -165.63 164.03 19.18 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.489 1.118 . . . . 0.0 109.289 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.455 ' HB3' ' CG ' ' A' ' 6' ' ' TYR . 58.7 p -77.83 -27.47 49.97 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.464 1.102 . . . . 0.0 110.007 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.436 ' O ' ' N ' ' A' ' 22' ' ' ASP . 52.7 mt-30 -73.59 -29.86 62.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.446 1.091 . . . . 0.0 110.298 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.422 HD21 ' CD1' ' A' ' 13' ' ' TYR . 7.3 tp -64.35 -65.53 0.66 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 0.0 109.341 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.557 ' CB ' ' SG ' ' A' ' 39' ' ' CYS . . . -55.63 -35.08 65.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 109.33 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' TRP . . . . . 0.605 ' CE3' ' OG ' ' A' ' 25' ' ' SER . 12.0 t-105 -69.8 -37.87 76.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.135 . . . . 0.0 108.013 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.436 ' N ' ' O ' ' A' ' 18' ' ' GLN . 7.7 t70 -70.14 -11.92 61.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.438 1.087 . . . . 0.0 109.297 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.41 HG23 ' N ' ' A' ' 24' ' ' CYS . 1.0 OUTLIER -88.18 -68.63 0.75 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 110.38 -179.987 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.41 ' N ' HG23 ' A' ' 23' ' ' THR . 0.0 OUTLIER -73.17 -58.89 2.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 108.253 -179.973 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.605 ' OG ' ' CE3' ' A' ' 21' ' ' TRP . 0.0 OUTLIER -77.46 52.99 1.01 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.509 1.131 . . . . 0.0 110.027 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 O-C-N 124.475 1.11 . . . . 0.0 110.942 -179.956 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 109.279 -0.638 . . . . 0.0 109.279 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.406 ' SG ' ' O ' ' A' ' 52' ' ' ALA . 5.0 p -69.07 124.92 25.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 0.0 108.256 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -170.35 176.75 43.88 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.46 1.1 . . . . 0.0 111.033 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.431 ' O ' ' SG ' ' A' ' 36' ' ' CYS . 81.2 m -85.63 -3.07 58.78 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 0.748 . . . . 0.0 110.4 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.485 ' O ' ' HB2' ' A' ' 38' ' ' GLN . 81.3 t -81.17 -35.77 14.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 109.276 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -63.36 -12.62 31.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 108.305 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.458 ' SG ' ' O ' ' A' ' 45' ' ' SER . 79.2 m -54.17 -79.82 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 108.295 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -86.8 42.5 3.16 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.556 1.16 . . . . 0.0 111.034 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.492 ' O ' ' CG2' ' A' ' 10' ' ' THR . 5.9 tp60 -123.2 -46.05 2.08 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 0.745 . . . . 0.0 110.314 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.621 ' HB3' ' CE1' ' A' ' 40' ' ' PHE . 0.5 OUTLIER -110.69 -27.13 9.05 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.491 1.119 . . . . 0.0 108.314 180.0 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.621 ' CE1' ' HB3' ' A' ' 39' ' ' CYS . 0.6 OUTLIER -135.15 -177.89 4.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 110.987 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.5 ' O ' ' HB ' ' A' ' 44' ' ' VAL . 3.1 m -141.28 156.58 45.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 109.981 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.626 ' CD2' ' HA ' ' A' ' 43' ' ' PRO . 0.2 OUTLIER -54.67 154.57 8.95 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 110.98 179.998 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.626 ' HA ' ' CD2' ' A' ' 42' ' ' PHE . 18.3 Cg_endo -74.99 8.15 10.25 Favored 'Cis proline' 0 C--N 1.36 1.151 0 C-N-CA 121.05 -2.479 . . . . 0.0 110.988 0.009 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.5 ' HB ' ' O ' ' A' ' 41' ' ' SER . 2.1 t -71.29 -37.9 67.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.31 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.55 ' HB3' ' N ' ' A' ' 42' ' ' PHE . 0.2 OUTLIER -52.87 -18.34 1.87 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.553 1.158 . . . . 0.0 109.977 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.585 ' HB2' ' CE1' ' A' ' 42' ' ' PHE . 1.8 tt0 -88.15 -23.68 23.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 110.292 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -76.02 -38.5 57.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 110.008 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 1.6 t -53.14 -65.39 0.57 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 108.32 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.4 ' HB2' ' SG ' ' A' ' 36' ' ' CYS . . . -56.77 -18.47 12.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.253 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -81.49 -57.67 2.71 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.481 1.113 . . . . 0.0 111.041 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -86.14 19.91 2.5 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.493 0.761 . . . . 0.0 111.03 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.406 ' O ' ' SG ' ' A' ' 31' ' ' CYS . . . . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.549 1.156 . . . . 0.0 109.294 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . 0.425 HG13 ' OG ' ' A' ' 17' ' ' SER . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.26 -0.645 . . . . 0.0 109.26 . . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -53.18 -24.74 11.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 110.278 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -75.56 -1.52 24.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.336 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . 0.451 ' CG ' HG23 ' A' ' 44' ' ' VAL . 22.4 m-85 -135.36 21.19 3.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 110.988 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . 0.542 ' CG ' ' HB2' ' A' ' 17' ' ' SER . 2.5 t80 -78.21 117.6 19.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 111.017 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' THR . . . . . 0.403 ' O ' ' HB2' ' A' ' 11' ' ' CYS . 9.5 p -104.08 90.4 3.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.147 . . . . 0.0 110.454 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 7.0 t -75.0 -0.31 18.39 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 110.015 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -77.65 -48.91 15.66 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.446 1.091 . . . . 0.0 110.296 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' THR . . . . . 0.417 ' CG2' ' O ' ' A' ' 38' ' ' GLN . 0.4 OUTLIER -98.93 -24.44 14.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.139 . . . . 0.0 110.416 179.964 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.453 ' SG ' ' HD2' ' A' ' 12' ' ' PRO . 38.2 t -64.4 137.58 97.17 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 0.0 108.308 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.453 ' HD2' ' SG ' ' A' ' 11' ' ' CYS . 18.4 Cg_endo -74.9 -3.29 13.69 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.459 1.768 . . . . 0.0 111.043 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 94.9 m-85 -117.55 152.39 35.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.559 1.162 . . . . 0.0 111.037 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.431 ' HD3' ' N ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -145.14 31.4 1.12 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 109.332 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -107.3 -47.72 3.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.249 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -165.31 150.37 9.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 109.318 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.542 ' HB2' ' CG ' ' A' ' 6' ' ' TYR . 12.3 t -68.45 -35.34 77.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.992 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.417 ' O ' ' N ' ' A' ' 22' ' ' ASP . 3.1 tt0 -64.88 -35.55 81.49 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 110.257 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 18.6 tp -57.46 -63.14 1.33 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 109.308 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.547 ' CB ' ' SG ' ' A' ' 39' ' ' CYS . . . -56.25 -37.49 69.85 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.547 1.154 . . . . 0.0 109.283 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' TRP . . . . . 0.544 ' CE2' ' HB2' ' A' ' 25' ' ' SER . 6.8 t-105 -64.65 -38.99 92.87 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 107.962 -1.125 . . . . 0.0 107.962 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.417 ' N ' ' O ' ' A' ' 18' ' ' GLN . 1.4 t0 -68.29 -12.52 61.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 109.311 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -88.81 -50.27 6.32 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.117 . . . . 0.0 110.412 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.486 ' O ' ' CB ' ' A' ' 31' ' ' CYS . 0.0 OUTLIER -86.7 -72.51 0.5 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 108.341 179.963 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.544 ' HB2' ' CE2' ' A' ' 21' ' ' TRP . 0.0 OUTLIER -80.09 51.53 1.39 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 0.0 110.01 179.975 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.944 0 O-C-N 124.503 1.127 . . . . 0.0 111.005 179.958 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 18.8 p30 . . . . . 0 N--CA 1.454 -0.266 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.486 ' CB ' ' O ' ' A' ' 24' ' ' CYS . 1.0 OUTLIER -57.99 145.64 35.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.141 . . . . 0.0 108.317 179.975 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 170.24 -178.34 43.05 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.543 1.152 . . . . 0.0 110.958 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.471 ' HA ' ' SG ' ' A' ' 36' ' ' CYS . 88.9 m -85.44 -5.16 59.32 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.496 0.762 . . . . 0.0 110.441 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.472 ' O ' ' HB2' ' A' ' 38' ' ' GLN . 97.8 t -81.89 -38.31 15.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.54 1.15 . . . . 0.0 109.271 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -62.02 -14.98 40.91 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.478 1.111 . . . . 0.0 108.324 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.477 ' HB3' ' OG ' ' A' ' 45' ' ' SER . 72.7 m -55.04 -57.52 11.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.117 . . . . 0.0 108.312 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -109.23 42.5 1.94 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.528 1.143 . . . . 0.0 110.983 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.472 ' HB2' ' O ' ' A' ' 34' ' ' VAL . 2.7 tt0 -122.19 -48.54 2.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 0.776 . . . . 0.0 110.264 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.566 ' HB3' ' CE1' ' A' ' 40' ' ' PHE . 0.5 OUTLIER -109.85 -24.4 10.87 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.551 1.157 . . . . 0.0 108.286 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.566 ' CE1' ' HB3' ' A' ' 39' ' ' CYS . 1.0 OUTLIER -135.73 -178.66 5.23 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.511 1.132 . . . . 0.0 111.034 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.502 ' O ' ' HB ' ' A' ' 44' ' ' VAL . 1.0 OUTLIER -144.74 157.4 44.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 110.005 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.642 ' CD2' ' HA ' ' A' ' 43' ' ' PRO . 0.2 OUTLIER -54.4 153.83 9.45 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.532 1.145 . . . . 0.0 111.021 -179.992 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.642 ' HA ' ' CD2' ' A' ' 42' ' ' PHE . 18.3 Cg_endo -75.0 7.4 10.88 Favored 'Cis proline' 0 C--N 1.36 1.142 0 C-N-CA 121.069 -2.471 . . . . 0.0 110.971 0.046 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.502 ' HB ' ' O ' ' A' ' 41' ' ' SER . 2.1 t -70.78 -36.89 66.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.311 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.558 ' HB3' ' N ' ' A' ' 42' ' ' PHE . 0.1 OUTLIER -51.75 -18.53 1.27 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.129 . . . . 0.0 110.019 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.594 ' HB2' ' CE1' ' A' ' 42' ' ' PHE . 11.1 tp60 -87.66 -28.1 22.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 110.325 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' SER . . . . . 0.44 ' N ' ' O ' ' A' ' 44' ' ' VAL . 12.9 m -71.57 -39.33 70.67 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.516 1.135 . . . . 0.0 110.044 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 1.1 t -53.09 -70.01 0.1 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.145 . . . . 0.0 108.32 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.433 ' CB ' ' SG ' ' A' ' 36' ' ' CYS . . . -55.24 -20.2 10.3 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 109.278 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -75.53 -56.46 4.61 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.481 1.113 . . . . 0.0 111.044 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' MET . . . . . 0.465 ' HB3' ' CZ2' ' A' ' 21' ' ' TRP . 1.3 tpp -85.22 15.05 4.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.456 0.739 . . . . 0.0 111.016 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 109.305 -179.985 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -106.59 -39.97 5.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 0.0 109.334 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -54.45 -32.09 56.9 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 110.282 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -74.21 -12.07 60.47 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.45 1.094 . . . . 0.0 109.269 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.517 ' CG ' HG21 ' A' ' 44' ' ' VAL . 16.7 m-85 -121.12 15.69 11.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.133 . . . . 0.0 111.003 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.536 ' CG ' ' HB3' ' A' ' 17' ' ' SER . 5.9 t80 -77.93 136.6 38.04 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.128 . . . . 0.0 111.025 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.411 ' OG1' ' O ' ' A' ' 7' ' ' THR . 9.9 p -117.76 87.98 2.82 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.546 1.154 . . . . 0.0 110.402 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 27.9 t -72.65 -3.18 23.36 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.465 1.103 . . . . 0.0 110.035 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -74.83 -44.62 48.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.143 . . . . 0.0 110.33 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.489 ' CG2' ' O ' ' A' ' 38' ' ' GLN . 0.1 OUTLIER -103.35 -25.33 13.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.561 1.163 . . . . 0.0 110.392 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.449 ' SG ' ' CB ' ' A' ' 20' ' ' ALA . 21.7 t -64.34 136.39 96.74 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 108.315 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.41 ' HD2' ' SG ' ' A' ' 11' ' ' CYS . 18.2 Cg_endo -75.03 -5.48 16.84 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.476 1.777 . . . . 0.0 110.98 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 86.4 m-85 -115.62 130.67 56.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 110.973 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.53 31.41 6.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 109.335 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 4.6 t30 -101.12 -54.83 2.7 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.472 1.108 . . . . 0.0 109.294 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -165.17 158.98 17.1 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.471 1.107 . . . . 0.0 109.302 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.536 ' HB3' ' CG ' ' A' ' 6' ' ' TYR . 58.4 p -71.38 -30.77 66.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.564 1.165 . . . . 0.0 110.038 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.434 ' O ' ' N ' ' A' ' 22' ' ' ASP . 45.4 mt-30 -67.04 -27.31 67.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 110.261 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 51.7 tp -67.6 -65.17 0.72 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 109.308 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.449 ' CB ' ' SG ' ' A' ' 11' ' ' CYS . . . -55.75 -34.26 65.03 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 0.0 109.27 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' TRP . . . . . 0.557 ' HB2' ' CZ ' ' A' ' 40' ' ' PHE . 5.2 t-105 -72.2 -40.05 68.15 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 107.988 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.434 ' N ' ' O ' ' A' ' 18' ' ' GLN . 8.8 m-20 -64.97 -14.34 59.9 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.104 . . . . 0.0 109.273 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -89.02 -65.66 1.0 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 110.4 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.413 ' O ' ' CB ' ' A' ' 31' ' ' CYS . 0.0 OUTLIER -65.1 -68.38 0.37 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.452 1.095 . . . . 0.0 108.301 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.469 ' OG ' ' CD2' ' A' ' 21' ' ' TRP . 0.0 OUTLIER -80.52 52.41 1.64 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 110.05 179.969 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -123.91 -2.82 8.52 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.513 1.133 . . . . 0.0 111.055 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 96.45 -29.71 9.86 Favored Glycine 0 CA--C 1.53 0.997 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 57.7 p -133.16 -173.73 3.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.448 0.734 . . . . 0.0 110.415 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 88.31 -111.98 3.84 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.541 1.15 . . . . 0.0 111.017 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -130.79 56.39 1.79 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 0.759 . . . . 0.0 109.291 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.413 ' CB ' ' O ' ' A' ' 24' ' ' CYS . 0.8 OUTLIER -73.71 154.0 39.83 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 108.323 179.971 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 158.78 -176.04 35.71 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.52 1.137 . . . . 0.0 110.975 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.404 ' O ' ' SG ' ' A' ' 36' ' ' CYS . 90.7 m -84.52 -4.52 59.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 0.771 . . . . 0.0 110.434 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.446 ' O ' ' HB2' ' A' ' 38' ' ' GLN . 59.6 t -73.89 -44.04 51.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.113 . . . . 0.0 109.286 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.404 ' C ' ' SG ' ' A' ' 48' ' ' CYS . 0.0 OUTLIER -63.02 -14.76 51.89 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 108.325 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.535 ' SG ' ' N ' ' A' ' 37' ' ' GLY . 0.5 OUTLIER -56.03 -52.54 63.88 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.534 1.146 . . . . 0.0 108.298 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.535 ' N ' ' SG ' ' A' ' 36' ' ' CYS . . . -113.64 41.04 2.31 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.49 1.119 . . . . 0.0 111.034 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.489 ' O ' ' CG2' ' A' ' 10' ' ' THR . 0.7 OUTLIER -118.45 -53.28 2.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 0.763 . . . . 0.0 110.335 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 75.3 m -109.79 -21.94 12.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 108.287 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.557 ' CZ ' ' HB2' ' A' ' 21' ' ' TRP . 1.1 m-85 -135.39 -175.52 3.96 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 111.056 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.506 ' O ' ' HB ' ' A' ' 44' ' ' VAL . 2.1 m -152.65 156.67 39.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.993 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.672 ' CD2' ' HA ' ' A' ' 43' ' ' PRO . 0.2 OUTLIER -53.53 154.07 6.89 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.11 . . . . 0.0 110.996 179.969 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.672 ' HA ' ' CD2' ' A' ' 42' ' ' PHE . 18.2 Cg_endo -75.07 8.02 10.6 Favored 'Cis proline' 0 C--N 1.36 1.178 0 C-N-CA 121.004 -2.499 . . . . 0.0 110.979 0.061 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.517 HG21 ' CG ' ' A' ' 5' ' ' PHE . 2.2 t -70.53 -39.15 75.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.122 . . . . 0.0 109.307 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.482 ' HB3' ' N ' ' A' ' 42' ' ' PHE . 0.4 OUTLIER -51.4 -21.61 2.42 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.105 . . . . 0.0 110.011 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.583 ' HB2' ' CE1' ' A' ' 42' ' ' PHE . 4.7 tp-100 -77.98 -31.51 50.8 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.437 1.085 . . . . 0.0 110.314 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' SER . . . . . 0.418 ' N ' ' O ' ' A' ' 44' ' ' VAL . 1.5 m -75.9 -38.33 57.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.127 . . . . 0.0 109.982 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . 0.404 ' SG ' ' C ' ' A' ' 35' ' ' CYS . 0.1 OUTLIER -59.14 -55.14 38.79 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.491 1.119 . . . . 0.0 108.268 -179.951 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -73.78 -4.71 36.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 109.268 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -93.75 -50.93 2.22 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.498 1.124 . . . . 0.0 110.971 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' MET . . . . . 0.453 ' SD ' ' CZ2' ' A' ' 21' ' ' TRP . 0.3 OUTLIER -85.76 14.64 5.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 0.754 . . . . 0.0 110.999 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -89.25 32.13 0.86 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 109.326 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 57.36 162.21 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.124 . . . . 0.0 109.268 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -100.81 -75.08 0.59 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 110.013 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -112.35 -8.56 13.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.453 1.095 . . . . 0.0 109.265 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 48.4 m-20 -74.95 -19.65 60.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 109.298 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -74.96 163.49 67.82 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 108.323 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 56.44 4.22 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.448 1.762 . . . . 0.0 111.007 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 55.4 m-20 -92.76 165.94 12.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 109.333 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 109.309 179.978 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -82.73 -38.48 14.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.146 . . . . 0.0 109.349 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.98 -29.77 44.31 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.515 1.134 . . . . 0.0 110.269 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -74.58 -5.97 45.9 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.475 1.109 . . . . 0.0 109.272 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.501 ' CG ' HG23 ' A' ' 44' ' ' VAL . 17.7 m-85 -126.61 15.58 7.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 111.014 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -77.78 106.53 9.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.142 . . . . 0.0 111.032 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.417 ' OG1' ' O ' ' A' ' 7' ' ' THR . 8.9 p -92.15 87.13 6.0 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.139 . . . . 0.0 110.425 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 31.3 t -70.76 -5.2 28.26 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 110.02 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.12 -49.67 34.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.577 1.173 . . . . 0.0 110.305 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.496 ' CG2' ' O ' ' A' ' 38' ' ' GLN . 0.1 OUTLIER -96.79 -26.4 15.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 110.383 -179.961 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.415 ' SG ' ' HD2' ' A' ' 12' ' ' PRO . 11.3 t -64.49 136.6 96.83 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.13 . . . . 0.0 108.321 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.415 ' HD2' ' SG ' ' A' ' 11' ' ' CYS . 18.3 Cg_endo -75.07 -8.54 20.08 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.554 1.818 . . . . 0.0 111.01 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 95.8 m-85 -110.62 142.64 42.2 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 110.974 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.426 ' HD3' ' N ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -134.69 28.57 3.59 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 1.109 . . . . 0.0 109.309 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 12.9 t30 -100.71 -54.4 2.84 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 109.312 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -163.01 152.01 14.78 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.486 1.116 . . . . 0.0 109.301 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 79.3 p -66.48 -34.56 78.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 110.054 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 45.1 tt0 -65.68 -22.08 66.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 110.271 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 57.7 tp -71.72 -62.14 1.53 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 109.281 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.412 ' CB ' ' SG ' ' A' ' 11' ' ' CYS . . . -57.86 -33.36 68.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 109.299 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' TRP . . . . . 0.544 ' CE3' ' OG ' ' A' ' 25' ' ' SER . 4.8 t-105 -71.94 -38.42 69.82 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.14 . . . . 0.0 108.006 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -64.93 -12.11 45.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 109.265 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.41 ' O ' ' O ' ' A' ' 28' ' ' THR . 0.8 OUTLIER -89.49 -62.98 1.35 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 0.0 110.37 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.433 ' SG ' ' N ' ' A' ' 25' ' ' SER . 0.0 OUTLIER -73.36 -71.61 0.3 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 0.0 108.314 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.544 ' OG ' ' CE3' ' A' ' 21' ' ' TRP . 0.1 OUTLIER -80.54 52.68 1.7 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 110.0 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -122.71 -3.53 9.18 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.46 1.1 . . . . 0.0 111.027 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . 0.403 ' O ' ' OD2' ' A' ' 53' ' ' ASP . . . 104.82 -41.01 2.26 Favored Glycine 0 CA--C 1.53 0.978 0 N-CA-C 111.026 -0.829 . . . . 0.0 111.026 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.41 ' O ' ' O ' ' A' ' 23' ' ' THR . 75.5 p -129.9 -177.34 4.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 0.771 . . . . 0.0 110.44 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 95.11 -126.38 8.72 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.492 1.12 . . . . 0.0 110.986 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . 0.402 ' OD1' ' CG2' ' A' ' 23' ' ' THR . 13.4 p30 -112.4 53.99 0.72 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 0.766 . . . . 0.0 109.295 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.406 ' SG ' ' O ' ' A' ' 52' ' ' ALA . 1.8 p -70.71 147.47 49.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 108.265 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 166.92 -177.83 41.46 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.51 1.131 . . . . 0.0 111.013 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.413 ' O ' ' SG ' ' A' ' 36' ' ' CYS . 41.0 m -84.6 -4.26 58.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 0.784 . . . . 0.0 110.404 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.439 ' O ' ' HB2' ' A' ' 38' ' ' GLN . 93.6 t -73.76 -42.92 54.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.249 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -62.73 -15.29 52.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.449 1.093 . . . . 0.0 108.262 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.542 ' SG ' ' N ' ' A' ' 37' ' ' GLY . 0.5 OUTLIER -55.23 -53.16 59.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 108.269 -179.954 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.542 ' N ' ' SG ' ' A' ' 36' ' ' CYS . . . -113.96 43.25 1.74 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.48 1.113 . . . . 0.0 111.033 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.496 ' O ' ' CG2' ' A' ' 10' ' ' THR . 2.3 tt0 -120.3 -52.11 2.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 0.752 . . . . 0.0 110.241 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 88.9 m -111.76 -20.94 11.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 108.339 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.52 ' CZ ' ' HB2' ' A' ' 21' ' ' TRP . 1.1 m-85 -135.76 -178.61 5.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.103 . . . . 0.0 111.05 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.512 ' O ' ' HB ' ' A' ' 44' ' ' VAL . 0.0 OUTLIER -149.63 157.02 42.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 110.039 179.961 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.665 ' CD2' ' HA ' ' A' ' 43' ' ' PRO . 0.2 OUTLIER -54.01 154.31 7.77 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.54 1.15 . . . . 0.0 110.966 -179.968 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.665 ' HA ' ' CD2' ' A' ' 42' ' ' PHE . 18.4 Cg_endo -74.93 8.29 10.03 Favored 'Cis proline' 0 C--N 1.36 1.152 0 C-N-CA 121.033 -2.486 . . . . 0.0 111.012 -0.061 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.512 ' HB ' ' O ' ' A' ' 41' ' ' SER . 2.2 t -70.68 -39.35 75.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.444 1.09 . . . . 0.0 109.308 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.476 ' H ' ' C ' ' A' ' 41' ' ' SER . 0.6 OUTLIER -52.03 -25.34 8.29 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.492 1.12 . . . . 0.0 110.019 179.976 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.561 ' HB2' ' CE1' ' A' ' 42' ' ' PHE . 16.8 tt0 -74.91 -30.41 61.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 110.267 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.4 m -76.14 -39.94 53.84 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.532 1.145 . . . . 0.0 110.014 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -54.01 -60.21 3.63 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.552 1.158 . . . . 0.0 108.304 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.54 -15.97 61.83 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.113 . . . . 0.0 109.294 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -81.19 -54.44 3.56 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.548 1.155 . . . . 0.0 111.012 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' MET . . . . . 0.402 ' HB3' ' CB ' ' A' ' 25' ' ' SER . 1.0 OUTLIER -85.48 15.0 4.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 0.771 . . . . 0.0 110.975 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.406 ' O ' ' SG ' ' A' ' 31' ' ' CYS . . . -89.49 25.28 2.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.543 1.152 . . . . 0.0 109.286 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.403 ' OD2' ' O ' ' A' ' 27' ' ' GLY . 3.6 m-20 58.55 158.3 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.5 1.125 . . . . 0.0 109.312 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -109.5 -79.96 0.58 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.149 . . . . 0.0 109.974 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 5.4 t-20 -101.67 -9.58 20.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.147 . . . . 0.0 109.275 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -74.85 -33.8 62.18 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.115 . . . . 0.0 109.342 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . 0.4 ' SG ' ' O ' ' A' ' 27' ' ' GLY . 0.0 OUTLIER -63.38 166.08 9.73 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 108.321 179.951 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 56.17 4.2 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.469 1.773 . . . . 0.0 110.978 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 15.1 m120 -89.69 164.14 14.82 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.113 . . . . 0.0 109.309 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.543 1.152 . . . . 0.0 109.267 179.97 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 61.6 m-20 . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.265 -0.643 . . . . 0.0 109.265 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -96.11 -34.43 5.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.271 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.08 -31.87 53.08 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 110.266 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 22.6 m-20 -74.31 -4.25 35.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 109.334 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.522 ' CG ' HG23 ' A' ' 44' ' ' VAL . 11.7 m-85 -128.84 17.93 6.21 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 110.971 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.52 ' CG ' ' HB3' ' A' ' 17' ' ' SER . 2.5 t80 -78.46 118.18 20.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.098 . . . . 0.0 110.984 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.405 ' O ' ' HB2' ' A' ' 11' ' ' CYS . 65.4 p -103.41 83.54 2.19 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.109 . . . . 0.0 110.424 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.4 t -65.3 -10.03 29.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 109.997 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -69.8 -57.96 4.46 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.547 1.154 . . . . 0.0 110.295 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.523 ' CG2' ' O ' ' A' ' 38' ' ' GLN . 0.2 OUTLIER -85.35 -29.35 24.54 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.48 1.113 . . . . 0.0 110.364 -179.968 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.456 ' SG ' ' CB ' ' A' ' 20' ' ' ALA . 6.7 t -64.22 137.27 97.07 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 108.252 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.558 ' HG2' ' CE2' ' A' ' 13' ' ' TYR . 18.3 Cg_endo -75.0 -12.07 21.49 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.489 1.784 . . . . 0.0 111.04 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.571 ' CD1' HD13 ' A' ' 19' ' ' LEU . 50.6 m-85 -117.02 139.1 51.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.118 . . . . 0.0 110.966 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.96 32.03 4.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.288 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 4.8 t-20 -98.0 -42.85 7.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 109.302 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -165.24 151.33 9.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.566 1.166 . . . . 0.0 109.295 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.52 ' HB3' ' CG ' ' A' ' 6' ' ' TYR . 37.6 p -70.81 -35.53 72.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 110.034 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 96.0 mt-30 -72.89 -23.64 60.74 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 110.284 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.571 HD13 ' CD1' ' A' ' 13' ' ' TYR . 0.4 OUTLIER -64.33 -59.55 4.24 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.525 1.141 . . . . 0.0 109.333 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.456 ' CB ' ' SG ' ' A' ' 11' ' ' CYS . . . -59.93 -34.62 73.47 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.474 1.109 . . . . 0.0 109.302 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' TRP . . . . . 0.549 ' CD2' ' OG ' ' A' ' 25' ' ' SER . 2.7 t-105 -67.37 -40.56 85.74 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 107.998 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -64.46 -13.56 52.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.31 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -89.05 -50.52 6.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 110.361 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.506 ' O ' ' CB ' ' A' ' 31' ' ' CYS . 0.0 OUTLIER -83.99 -70.97 0.53 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.507 1.13 . . . . 0.0 108.276 -179.972 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.549 ' OG ' ' CD2' ' A' ' 21' ' ' TRP . 0.0 OUTLIER -79.92 52.1 1.44 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 109.98 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -124.23 -1.66 8.57 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.556 1.16 . . . . 0.0 110.982 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 104.81 -46.63 1.16 Allowed Glycine 0 CA--C 1.53 1.019 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 81.6 p -121.84 178.13 5.0 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.53 0.782 . . . . 0.0 110.424 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 93.76 -136.45 13.07 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.494 1.121 . . . . 0.0 110.971 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 26.9 p30 -94.76 37.65 1.13 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.491 0.759 . . . . 0.0 109.321 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.506 ' CB ' ' O ' ' A' ' 24' ' ' CYS . 12.8 p -63.06 130.97 46.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 108.312 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 175.14 -175.89 47.16 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.531 1.144 . . . . 0.0 110.992 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.408 ' O ' ' SG ' ' A' ' 36' ' ' CYS . 95.7 m -84.5 -4.94 59.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 0.767 . . . . 0.0 110.392 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.426 ' O ' ' HB2' ' A' ' 38' ' ' GLN . 53.1 t -74.52 -41.4 49.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.52 1.138 . . . . 0.0 109.289 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.413 ' C ' ' SG ' ' A' ' 48' ' ' CYS . 0.0 OUTLIER -62.91 -14.75 50.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.135 . . . . 0.0 108.267 -179.981 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.533 ' SG ' ' N ' ' A' ' 37' ' ' GLY . 0.6 OUTLIER -54.34 -52.7 60.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 108.29 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.533 ' N ' ' SG ' ' A' ' 36' ' ' CYS . . . -113.98 40.32 2.53 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.492 1.12 . . . . 0.0 110.969 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.523 ' O ' ' CG2' ' A' ' 10' ' ' THR . 5.5 tp60 -120.74 -45.07 2.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 0.757 . . . . 0.0 110.322 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.419 ' HB2' ' CE1' ' A' ' 40' ' ' PHE . 55.4 m -114.16 -26.0 8.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 108.264 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.544 ' CZ ' ' HB2' ' A' ' 21' ' ' TRP . 0.4 OUTLIER -135.43 -173.02 3.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.465 1.103 . . . . 0.0 111.014 -179.968 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.492 ' O ' ' HB ' ' A' ' 44' ' ' VAL . 2.3 m -151.29 157.26 42.32 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.537 1.148 . . . . 0.0 110.042 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.639 ' CG ' ' HA ' ' A' ' 43' ' ' PRO . 0.1 OUTLIER -55.43 155.79 9.41 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 110.982 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.639 ' HA ' ' CG ' ' A' ' 42' ' ' PHE . 18.5 Cg_endo -74.97 8.74 9.73 Favored 'Cis proline' 0 C--N 1.36 1.149 0 C-N-CA 121.025 -2.489 . . . . 0.0 111.037 -0.063 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.522 HG23 ' CG ' ' A' ' 5' ' ' PHE . 2.1 t -71.53 -39.07 70.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.435 1.084 . . . . 0.0 109.303 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.543 ' HB3' ' N ' ' A' ' 42' ' ' PHE . 0.1 OUTLIER -51.22 -22.77 2.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 0.0 110.053 179.969 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.564 ' HB2' ' CE1' ' A' ' 42' ' ' PHE . 6.1 tt0 -76.04 -31.94 59.09 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.518 1.137 . . . . 0.0 110.283 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.5 m -76.25 -36.53 58.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.151 . . . . 0.0 109.985 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . 0.413 ' SG ' ' C ' ' A' ' 35' ' ' CYS . 0.1 OUTLIER -60.14 -52.92 63.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 108.313 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -77.22 -0.04 23.71 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.437 1.086 . . . . 0.0 109.301 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -99.89 -47.07 1.81 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.467 1.104 . . . . 0.0 110.987 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' MET . . . . . 0.52 ' CB ' ' CZ2' ' A' ' 21' ' ' TRP . 1.0 OUTLIER -85.83 10.88 12.47 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 0.768 . . . . 0.0 111.042 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.403 ' O ' ' O ' ' A' ' 53' ' ' ASP . . . -89.84 34.04 0.85 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 109.325 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.475 ' CG ' ' CB ' ' A' ' 56' ' ' ASP . 1.1 m-20 51.33 177.78 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.117 . . . . 0.0 109.302 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -117.95 -70.85 0.77 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 109.97 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -84.9 -16.48 40.99 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 0.0 109.31 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.475 ' CB ' ' CG ' ' A' ' 53' ' ' ASP . 0.5 OUTLIER -74.73 -32.92 62.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.559 1.162 . . . . 0.0 109.309 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -69.13 146.88 97.37 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 108.329 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 58.0 4.73 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.483 1.78 . . . . 0.0 110.983 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 37.6 m-20 -89.25 160.52 16.88 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.461 1.1 . . . . 0.0 109.322 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.121 . . . . 0.0 109.264 -179.977 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -106.23 -35.74 3.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.459 1.099 . . . . 0.0 109.292 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.423 ' HG2' ' N ' ' A' ' 4' ' ' ASP . 4.2 pm0 -54.41 -31.21 54.62 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.458 1.099 . . . . 0.0 110.364 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . 0.423 ' N ' ' HG2' ' A' ' 3' ' ' GLU . 0.2 OUTLIER -74.53 -13.23 60.65 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.52 1.138 . . . . 0.0 109.335 179.963 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.54 ' CD2' HG23 ' A' ' 44' ' ' VAL . 23.7 m-85 -119.85 15.85 12.61 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.497 1.123 . . . . 0.0 110.953 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.53 ' CG ' ' HB3' ' A' ' 17' ' ' SER . 5.4 t80 -77.72 132.41 38.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.137 . . . . 0.0 110.999 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.407 ' O ' ' HB2' ' A' ' 11' ' ' CYS . 42.8 p -114.47 86.38 2.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.453 1.096 . . . . 0.0 110.409 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 29.0 t -71.58 -3.63 22.51 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.509 1.131 . . . . 0.0 109.991 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.87 -54.63 6.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 110.334 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.467 ' CG2' ' O ' ' A' ' 38' ' ' GLN . 0.7 OUTLIER -92.39 -26.17 18.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.138 . . . . 0.0 110.387 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.457 ' SG ' ' CB ' ' A' ' 20' ' ' ALA . 35.3 t -64.17 136.44 96.75 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.544 1.152 . . . . 0.0 108.281 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.401 ' HD2' ' SG ' ' A' ' 11' ' ' CYS . 18.3 Cg_endo -74.98 -1.99 11.94 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.473 1.775 . . . . 0.0 111.016 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 94.2 m-85 -118.15 131.64 56.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 0.0 110.989 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.39 34.41 5.03 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.466 1.104 . . . . 0.0 109.29 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 4.6 t30 -105.5 -54.18 2.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.12 . . . . 0.0 109.305 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -165.19 156.74 14.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 109.298 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.53 ' HB3' ' CG ' ' A' ' 6' ' ' TYR . 66.3 p -69.91 -32.33 70.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 110.031 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.512 ' O ' ' CB ' ' A' ' 22' ' ' ASP . 49.3 mt-30 -65.65 -24.13 66.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.455 1.097 . . . . 0.0 110.292 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 43.2 tp -70.55 -65.92 0.67 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 0.0 109.278 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.457 ' CB ' ' SG ' ' A' ' 11' ' ' CYS . . . -55.34 -33.78 63.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.259 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' TRP . . . . . 0.57 ' HB2' ' CZ ' ' A' ' 40' ' ' PHE . 5.5 t-105 -74.5 -41.23 61.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.117 . . . . 0.0 108.059 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.512 ' CB ' ' O ' ' A' ' 18' ' ' GLN . 4.4 t70 -65.33 -11.69 44.39 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.441 1.088 . . . . 0.0 109.314 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.403 ' O ' ' O ' ' A' ' 28' ' ' THR . 0.8 OUTLIER -85.65 -61.05 1.85 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.53 1.143 . . . . 0.0 110.392 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.438 ' SG ' ' N ' ' A' ' 25' ' ' SER . 0.0 OUTLIER -79.81 -67.37 0.77 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 108.326 179.958 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.557 ' OG ' ' CD2' ' A' ' 21' ' ' TRP . 0.1 OUTLIER -77.76 53.19 1.1 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.477 1.111 . . . . 0.0 110.035 179.962 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -131.23 8.91 5.66 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.534 1.146 . . . . 0.0 110.954 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . 0.401 ' O ' ' SG ' ' A' ' 57' ' ' CYS . . . 94.85 -32.85 5.76 Favored Glycine 0 CA--C 1.53 0.989 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.403 ' O ' ' O ' ' A' ' 23' ' ' THR . 69.2 p -131.69 -151.76 0.47 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 0.751 . . . . 0.0 110.408 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 73.24 -134.91 20.38 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.488 1.118 . . . . 0.0 110.991 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 25.3 p30 -106.88 43.58 1.14 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 0.753 . . . . 0.0 109.331 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.435 ' CB ' ' O ' ' A' ' 24' ' ' CYS . 0.6 OUTLIER -60.84 137.3 58.22 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 108.252 -179.965 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 176.18 -173.65 46.41 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.441 1.088 . . . . 0.0 111.005 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.416 ' HA ' ' SG ' ' A' ' 36' ' ' CYS . 88.7 m -85.28 -6.33 59.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 0.759 . . . . 0.0 110.402 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.497 ' O ' ' HB2' ' A' ' 38' ' ' GLN . 70.4 t -82.76 -34.65 11.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.311 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -63.37 -19.05 64.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 108.345 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.438 ' SG ' ' O ' ' A' ' 45' ' ' SER . 73.6 m -55.63 -78.97 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.542 1.151 . . . . 0.0 108.276 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -84.7 48.63 4.09 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.471 1.107 . . . . 0.0 111.015 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.497 ' HB2' ' O ' ' A' ' 34' ' ' VAL . 2.0 tt0 -120.45 -59.85 1.73 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.428 0.723 . . . . 0.0 110.306 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 61.1 m -112.06 -13.51 13.56 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.457 1.098 . . . . 0.0 108.297 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.57 ' CZ ' ' HB2' ' A' ' 21' ' ' TRP . 1.2 m-85 -135.1 174.5 10.54 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.123 . . . . 0.0 110.99 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.5 ' C ' ' H ' ' A' ' 45' ' ' SER . 3.3 m -143.71 158.23 43.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 109.962 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.669 ' CD2' ' HA ' ' A' ' 43' ' ' PRO . 0.2 OUTLIER -54.73 153.92 10.16 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.511 1.132 . . . . 0.0 111.0 -179.953 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.669 ' HA ' ' CD2' ' A' ' 42' ' ' PHE . 18.3 Cg_endo -74.99 6.46 11.63 Favored 'Cis proline' 0 C--N 1.36 1.162 0 C-N-CA 121.006 -2.497 . . . . 0.0 111.001 -0.022 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.54 HG23 ' CD2' ' A' ' 5' ' ' PHE . 2.0 t -70.17 -36.97 70.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 109.313 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.513 ' HB3' ' N ' ' A' ' 42' ' ' PHE . 0.6 OUTLIER -52.52 -17.84 1.43 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.54 1.15 . . . . 0.0 110.024 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.614 ' HB2' ' CE1' ' A' ' 42' ' ' PHE . 0.4 OUTLIER -89.08 -25.23 22.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 110.281 179.967 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' SER . . . . . 0.449 ' N ' ' O ' ' A' ' 44' ' ' VAL . 2.5 t -75.19 -37.94 61.01 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.524 1.14 . . . . 0.0 110.052 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . 0.433 ' SG ' ' N ' ' A' ' 36' ' ' CYS . 0.1 OUTLIER -54.08 -66.24 0.43 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 108.305 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.423 ' CB ' ' SG ' ' A' ' 36' ' ' CYS . . . -59.48 -16.16 22.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 0.0 109.273 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -80.16 -52.96 4.35 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.477 1.111 . . . . 0.0 111.039 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' MET . . . . . 0.434 ' HB3' ' CB ' ' A' ' 25' ' ' SER . 3.9 tpt -85.47 14.34 5.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 0.78 . . . . 0.0 110.998 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.414 ' O ' ' O ' ' A' ' 53' ' ' ASP . . . -90.35 35.08 0.86 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 0.0 109.321 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.414 ' O ' ' O ' ' A' ' 52' ' ' ALA . 0.9 OUTLIER 56.2 164.96 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 109.286 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -98.66 -87.45 0.34 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 109.995 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -105.55 -7.66 18.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.43 1.081 . . . . 0.0 109.354 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -74.44 -21.41 59.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.11 . . . . 0.0 109.264 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . 0.401 ' SG ' ' O ' ' A' ' 27' ' ' GLY . 0.0 OUTLIER -76.05 154.72 84.7 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.565 1.166 . . . . 0.0 108.316 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 55.94 4.13 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.511 1.795 . . . . 0.0 110.99 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . 0.4 ' O ' ' C ' ' A' ' 60' ' ' ALA . 25.9 m-20 -93.61 165.08 12.9 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.513 1.133 . . . . 0.0 109.28 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.4 ' C ' ' O ' ' A' ' 59' ' ' ASN . . . . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.0 109.322 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 16.9 m-20 . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -97.15 -31.69 3.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 0.0 109.316 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -55.94 -29.33 59.96 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 110.292 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -74.24 -5.56 42.72 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.472 1.107 . . . . 0.0 109.276 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 18.4 m-85 -126.88 16.71 7.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 110.983 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.539 ' CG ' ' HB3' ' A' ' 17' ' ' SER . 5.5 t80 -78.79 132.57 36.95 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.47 1.107 . . . . 0.0 111.002 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.424 ' OG1' ' O ' ' A' ' 7' ' ' THR . 8.7 p -121.53 89.38 3.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 110.432 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -67.69 -8.39 34.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.471 1.107 . . . . 0.0 110.005 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -68.96 -46.1 69.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.112 . . . . 0.0 110.27 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.524 ' CG2' ' O ' ' A' ' 38' ' ' GLN . 0.5 OUTLIER -99.13 -27.91 13.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.133 . . . . 0.0 110.381 -179.983 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.463 ' SG ' ' CB ' ' A' ' 20' ' ' ALA . 7.7 t -64.31 137.29 97.08 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 108.258 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.566 ' HG2' ' CE2' ' A' ' 13' ' ' TYR . 18.1 Cg_endo -75.05 -7.61 19.27 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.503 1.791 . . . . 0.0 110.998 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.566 ' CE2' ' HG2' ' A' ' 12' ' ' PRO . 52.5 m-85 -122.68 139.27 54.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 110.98 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.54 34.49 4.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 109.291 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 17.9 t30 -99.35 -45.73 5.75 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 109.352 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -165.47 156.54 14.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.336 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.539 ' HB3' ' CG ' ' A' ' 6' ' ' TYR . 9.3 p -73.62 -34.11 64.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.993 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 42.9 tt0 -74.6 -22.71 58.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 110.322 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.477 HD11 ' CD1' ' A' ' 13' ' ' TYR . 0.4 OUTLIER -65.98 -58.52 5.35 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 109.263 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.463 ' CB ' ' SG ' ' A' ' 11' ' ' CYS . . . -60.98 -32.81 72.35 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.498 1.124 . . . . 0.0 109.281 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' TRP . . . . . 0.565 ' HB2' ' CZ ' ' A' ' 40' ' ' PHE . 7.6 t-105 -68.06 -41.01 82.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 108.005 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 35.8 t0 -66.5 -13.08 60.4 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.462 1.101 . . . . 0.0 109.325 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.41 ' O ' ' O ' ' A' ' 28' ' ' THR . 0.7 OUTLIER -84.61 -55.43 4.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 110.424 179.962 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.433 ' SG ' ' N ' ' A' ' 25' ' ' SER . 0.0 OUTLIER -85.91 -71.59 0.53 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 108.289 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.561 ' OG ' ' CE3' ' A' ' 21' ' ' TRP . 0.1 OUTLIER -79.81 51.96 1.39 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.448 1.093 . . . . 0.0 109.967 -179.962 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -123.51 6.34 9.17 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.489 1.118 . . . . 0.0 111.005 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 98.31 -37.64 3.4 Favored Glycine 0 CA--C 1.53 1.001 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.41 ' O ' ' O ' ' A' ' 23' ' ' THR . 69.6 p -134.82 -174.59 3.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 0.757 . . . . 0.0 110.396 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 91.25 -132.54 11.33 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.426 1.079 . . . . 0.0 111.044 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 42.6 p-10 -100.39 43.98 1.04 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.486 0.756 . . . . 0.0 109.282 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.402 ' SG ' ' O ' ' A' ' 52' ' ' ALA . 0.8 OUTLIER -63.49 125.19 23.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 108.275 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -170.42 179.05 42.78 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.539 1.149 . . . . 0.0 110.965 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.432 ' HA ' ' SG ' ' A' ' 36' ' ' CYS . 91.8 m -85.49 -5.76 59.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 0.765 . . . . 0.0 110.421 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.455 ' O ' ' HB2' ' A' ' 38' ' ' GLN . 53.2 t -79.25 -35.09 16.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.467 1.105 . . . . 0.0 109.317 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -63.06 -14.13 44.38 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.493 1.121 . . . . 0.0 108.3 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.444 ' SG ' ' O ' ' A' ' 45' ' ' SER . 81.4 m -55.52 -69.4 0.14 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 108.283 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -97.56 45.4 1.74 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.538 1.149 . . . . 0.0 110.99 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.524 ' O ' ' CG2' ' A' ' 10' ' ' THR . 0.1 OUTLIER -121.36 -36.21 3.13 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 0.763 . . . . 0.0 110.294 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.403 ' O ' ' N ' ' A' ' 7' ' ' THR . 70.7 m -125.72 -41.06 2.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.548 1.155 . . . . 0.0 108.307 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.565 ' CZ ' ' HB2' ' A' ' 21' ' ' TRP . 0.5 OUTLIER -114.93 179.39 3.96 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.52 1.137 . . . . 0.0 111.002 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.5 ' O ' ' HB ' ' A' ' 44' ' ' VAL . 2.7 m -140.97 158.75 43.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 110.03 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.633 ' CD2' ' HA ' ' A' ' 43' ' ' PRO . 0.2 OUTLIER -55.17 154.93 9.78 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 111.015 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.633 ' HA ' ' CD2' ' A' ' 42' ' ' PHE . 18.4 Cg_endo -74.95 7.88 10.41 Favored 'Cis proline' 0 C--N 1.36 1.136 0 C-N-CA 121.001 -2.499 . . . . 0.0 111.0 -0.029 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.5 ' HB ' ' O ' ' A' ' 41' ' ' SER . 2.1 t -70.6 -38.59 73.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 0.0 109.322 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.545 ' HB3' ' N ' ' A' ' 42' ' ' PHE . 0.2 OUTLIER -52.74 -18.35 1.79 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.13 . . . . 0.0 110.008 -179.967 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.589 ' HB2' ' CE1' ' A' ' 42' ' ' PHE . 4.2 tt0 -87.53 -24.61 24.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.54 1.15 . . . . 0.0 110.285 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 87.2 p -75.27 -38.05 60.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.096 . . . . 0.0 110.019 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -53.18 -65.49 0.55 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.14 . . . . 0.0 108.305 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -58.05 -17.4 17.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 109.334 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -80.51 -55.76 3.34 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.491 1.119 . . . . 0.0 110.962 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' MET . . . . . 0.5 ' HB3' ' CZ2' ' A' ' 21' ' ' TRP . 0.6 OUTLIER -85.32 15.53 4.3 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.516 0.774 . . . . 0.0 111.04 179.977 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.405 ' O ' ' O ' ' A' ' 53' ' ' ASP . . . -89.55 22.9 2.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 109.306 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.405 ' O ' ' O ' ' A' ' 52' ' ' ALA . 5.4 m-20 59.54 154.17 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 109.306 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -102.1 -85.96 0.43 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.128 . . . . 0.0 109.999 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 3.5 t30 -98.16 -7.75 28.83 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.52 1.138 . . . . 0.0 109.292 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -74.57 -30.19 61.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.14 . . . . 0.0 109.301 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . 0.439 ' CB ' ' CD ' ' A' ' 58' ' ' PRO . 0.0 OUTLIER -74.84 175.19 4.21 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.137 . . . . 0.0 108.3 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.439 ' CD ' ' CB ' ' A' ' 57' ' ' CYS . 18.5 Cg_endo -74.95 0.6 8.68 Favored 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.538 1.809 . . . . 0.0 111.024 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -79.59 150.96 30.88 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.113 . . . . 0.0 109.31 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.113 . . . . 0.0 109.285 -179.992 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 21.6 m-20 . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -95.95 -39.05 9.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.118 . . . . 0.0 109.279 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 5.4 tm-20 -53.66 -31.21 46.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 110.284 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -74.07 -4.19 34.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 109.32 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.473 ' CG ' HG23 ' A' ' 44' ' ' VAL . 12.5 m-85 -128.17 13.12 6.67 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.14 . . . . 0.0 110.98 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.542 ' CG ' ' HB3' ' A' ' 17' ' ' SER . 4.6 t80 -78.44 142.32 37.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 111.008 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.424 ' OG1' ' CG2' ' A' ' 10' ' ' THR . 38.4 p -125.94 88.22 2.82 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.43 1.081 . . . . 0.0 110.354 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.24 -11.76 44.42 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 110.003 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -68.95 -48.56 62.89 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.458 1.099 . . . . 0.0 110.328 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.525 ' CG2' ' O ' ' A' ' 38' ' ' GLN . 0.5 OUTLIER -94.21 -29.23 15.21 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.496 1.122 . . . . 0.0 110.376 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.407 ' SG ' ' CB ' ' A' ' 20' ' ' ALA . 6.1 t -64.37 136.4 96.74 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.5 1.125 . . . . 0.0 108.32 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -13.54 21.38 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.47 1.774 . . . . 0.0 110.98 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.425 ' CD1' HD22 ' A' ' 19' ' ' LEU . 99.7 m-85 -111.1 135.98 50.82 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.486 1.116 . . . . 0.0 111.013 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.22 32.57 5.96 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.117 . . . . 0.0 109.273 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . 0.463 ' HB3' ' CD2' ' A' ' 19' ' ' LEU . 49.5 t30 -95.71 -60.56 1.62 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.544 1.153 . . . . 0.0 109.338 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -165.81 156.04 12.86 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 109.257 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.542 ' HB3' ' CG ' ' A' ' 6' ' ' TYR . 36.3 p -63.91 -34.17 77.36 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 109.998 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 12.2 mt-30 -66.94 -32.57 73.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 110.294 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.463 ' CD2' ' HB3' ' A' ' 15' ' ' ASN . 7.9 tp -62.79 -64.97 0.76 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 109.313 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.407 ' CB ' ' SG ' ' A' ' 11' ' ' CYS . . . -56.55 -33.56 66.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.547 1.154 . . . . 0.0 109.303 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' TRP . . . . . 0.56 ' CD2' ' OG ' ' A' ' 25' ' ' SER . 19.0 t-105 -66.48 -44.98 81.18 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 107.996 -1.113 . . . . 0.0 107.996 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 11.7 t0 -65.68 -23.59 66.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.272 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.407 HG21 ' N ' ' A' ' 24' ' ' CYS . 0.9 OUTLIER -71.03 -64.16 0.96 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 110.421 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.418 ' O ' ' CB ' ' A' ' 31' ' ' CYS . 0.0 OUTLIER -82.64 -60.29 2.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.13 . . . . 0.0 108.306 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.56 ' OG ' ' CD2' ' A' ' 21' ' ' TRP . 0.1 OUTLIER -76.48 54.04 0.9 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 109.97 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -136.64 -127.76 2.65 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.529 1.143 . . . . 0.0 111.007 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -105.28 -53.75 0.77 Allowed Glycine 0 CA--C 1.529 0.961 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 69.1 p -125.94 -152.56 0.52 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 0.743 . . . . 0.0 110.393 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 89.34 -124.67 7.46 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.53 1.144 . . . . 0.0 110.958 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -122.91 58.09 1.1 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 0.782 . . . . 0.0 109.243 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.418 ' CB ' ' O ' ' A' ' 24' ' ' CYS . 10.3 p -76.18 131.69 39.51 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 108.306 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -176.24 -179.55 46.77 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.536 1.148 . . . . 0.0 111.042 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.413 ' O ' ' SG ' ' A' ' 36' ' ' CYS . 93.8 m -85.1 -4.44 59.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 0.781 . . . . 0.0 110.393 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.487 ' O ' ' HB2' ' A' ' 38' ' ' GLN . 63.0 t -82.49 -34.71 12.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.551 1.157 . . . . 0.0 109.333 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -63.17 -13.3 35.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 108.258 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.44 ' SG ' ' O ' ' A' ' 45' ' ' SER . 72.5 m -54.72 -78.24 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 108.321 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -87.07 42.07 3.13 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.558 1.161 . . . . 0.0 111.003 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.525 ' O ' ' CG2' ' A' ' 10' ' ' THR . 6.4 tp60 -123.06 -41.69 2.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.475 0.75 . . . . 0.0 110.348 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.405 ' HB2' ' CE1' ' A' ' 40' ' ' PHE . 17.6 m -114.32 -30.11 6.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.122 . . . . 0.0 108.283 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.499 ' CZ ' ' HB2' ' A' ' 21' ' ' TRP . 0.3 OUTLIER -133.8 -177.23 4.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.125 . . . . 0.0 110.987 -179.981 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.499 ' O ' ' HB ' ' A' ' 44' ' ' VAL . 3.1 m -140.81 157.49 45.32 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.459 1.1 . . . . 0.0 110.026 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.641 ' CD2' ' HA ' ' A' ' 43' ' ' PRO . 0.2 OUTLIER -55.04 154.7 9.68 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 111.004 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.641 ' HA ' ' CD2' ' A' ' 42' ' ' PHE . 18.3 Cg_endo -75.01 7.59 10.77 Favored 'Cis proline' 0 C--N 1.359 1.122 0 C-N-CA 121.008 -2.496 . . . . 0.0 110.997 0.031 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.499 ' HB ' ' O ' ' A' ' 41' ' ' SER . 2.1 t -70.58 -38.13 72.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.569 1.168 . . . . 0.0 109.327 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.554 ' HB3' ' N ' ' A' ' 42' ' ' PHE . 0.2 OUTLIER -52.56 -18.52 1.77 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.469 1.105 . . . . 0.0 110.02 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.59 ' HB2' ' CE1' ' A' ' 42' ' ' PHE . 1.3 tt0 -87.07 -24.16 24.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 110.28 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' SER . . . . . 0.448 ' N ' ' O ' ' A' ' 44' ' ' VAL . 0.8 OUTLIER -75.57 -38.28 59.31 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.534 1.146 . . . . 0.0 110.001 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 1.4 t -53.45 -65.1 0.62 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.473 1.108 . . . . 0.0 108.327 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -57.46 -18.78 20.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.344 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -79.57 -56.83 3.26 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.469 1.105 . . . . 0.0 110.999 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' MET . . . . . 0.402 ' CB ' ' CZ2' ' A' ' 21' ' ' TRP . 6.1 tpp -86.52 21.97 2.0 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 0.76 . . . . 0.0 110.964 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -85.86 44.15 1.1 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.131 . . . . 0.0 109.3 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.428 ' OD1' ' N ' ' A' ' 54' ' ' SER . 37.4 t0 54.29 170.84 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.122 . . . . 0.0 109.296 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.428 ' N ' ' OD1' ' A' ' 53' ' ' ASP . 0.4 OUTLIER -103.92 -90.36 0.38 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.123 . . . . 0.0 110.008 179.953 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -115.04 -9.36 12.37 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.506 1.129 . . . . 0.0 109.285 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -74.54 -3.67 32.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 109.296 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . 0.426 ' N ' ' OD2' ' A' ' 53' ' ' ASP . 0.0 OUTLIER -84.9 154.91 61.37 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.132 . . . . 0.0 108.304 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 55.85 4.1 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.481 1.78 . . . . 0.0 110.985 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 61.3 m-20 -91.56 162.54 14.48 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.526 1.141 . . . . 0.0 109.268 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.123 . . . . 0.0 109.287 179.979 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 1.5 p30 . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 1.6 pt -105.78 -42.45 6.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 109.335 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -54.0 -27.28 30.76 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.488 1.118 . . . . 0.0 110.274 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -74.57 -9.35 58.49 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.511 1.132 . . . . 0.0 109.316 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.532 ' CG ' HG21 ' A' ' 44' ' ' VAL . 13.9 m-85 -123.88 16.4 9.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.111 . . . . 0.0 111.03 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.552 ' CG ' ' HB2' ' A' ' 17' ' ' SER . 3.2 t80 -78.2 116.39 18.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 111.002 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.454 ' OG1' ' CG2' ' A' ' 10' ' ' THR . 7.2 p -105.27 90.64 3.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 110.383 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -68.6 -8.85 45.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.982 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.37 -51.3 38.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 110.294 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.521 ' CG2' ' O ' ' A' ' 38' ' ' GLN . 0.8 OUTLIER -91.52 -27.7 18.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 110.401 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.429 ' SG ' ' HD2' ' A' ' 12' ' ' PRO . 7.4 t -63.96 137.22 97.04 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.51 1.131 . . . . 0.0 108.337 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.429 ' HD2' ' SG ' ' A' ' 11' ' ' CYS . 18.2 Cg_endo -75.01 -24.55 12.69 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.51 1.795 . . . . 0.0 111.004 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 63.7 m-85 -109.1 -179.51 3.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 111.017 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.432 ' HG2' ' N ' ' A' ' 15' ' ' ASN . 0.0 OUTLIER -153.41 -142.42 0.12 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.443 1.09 . . . . 0.0 109.283 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . 0.432 ' N ' ' HG2' ' A' ' 14' ' ' LYS . 1.0 OUTLIER 72.16 -68.76 0.21 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 109.277 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -142.75 156.78 45.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.15 . . . . 0.0 109.346 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.552 ' HB2' ' CG ' ' A' ' 6' ' ' TYR . 11.5 t -75.77 -31.85 59.69 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.507 1.129 . . . . 0.0 110.021 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 15.6 tt0 -65.51 -17.3 64.46 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.547 1.155 . . . . 0.0 110.31 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 43.6 tp -70.45 -64.95 0.8 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.542 1.151 . . . . 0.0 109.299 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.405 ' CB ' ' SG ' ' A' ' 11' ' ' CYS . . . -58.14 -32.03 67.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 109.326 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' TRP . . . . . 0.588 ' CE3' ' OG ' ' A' ' 25' ' ' SER . 6.0 t-105 -70.77 -37.56 73.38 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.099 . . . . 0.0 108.044 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -64.74 -13.23 54.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 109.296 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.424 HG21 ' N ' ' A' ' 24' ' ' CYS . 0.9 OUTLIER -91.03 -66.25 0.94 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.44 1.088 . . . . 0.0 110.34 -179.95 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.444 ' SG ' ' N ' ' A' ' 25' ' ' SER . 0.0 OUTLIER -67.52 -71.72 0.2 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 108.318 -179.956 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.588 ' OG ' ' CE3' ' A' ' 21' ' ' TRP . 0.0 OUTLIER -80.98 51.67 1.61 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.439 1.087 . . . . 0.0 109.993 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -120.75 4.75 11.69 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.502 1.126 . . . . 0.0 110.995 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . 0.402 ' O ' ' OD2' ' A' ' 53' ' ' ASP . . . 99.64 -35.87 4.45 Favored Glycine 0 CA--C 1.531 1.033 0 N-CA-C 111.019 -0.832 . . . . 0.0 111.019 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.408 ' O ' ' O ' ' A' ' 23' ' ' THR . 42.7 p -135.46 -164.08 1.48 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.541 0.789 . . . . 0.0 110.382 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 85.59 -131.45 10.47 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.472 1.108 . . . . 0.0 110.989 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 44.9 p-10 -103.27 40.4 1.41 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.523 0.778 . . . . 0.0 109.308 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -59.09 138.55 57.5 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 108.29 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 170.63 -179.5 42.62 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.518 1.136 . . . . 0.0 111.011 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.416 ' O ' ' SG ' ' A' ' 36' ' ' CYS . 59.6 m -81.33 -5.01 57.38 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.562 0.801 . . . . 0.0 110.447 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.42 ' O ' ' HB2' ' A' ' 38' ' ' GLN . 69.0 t -73.98 -42.07 52.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 109.271 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -63.06 -14.68 51.14 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.473 1.108 . . . . 0.0 108.272 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.552 ' SG ' ' N ' ' A' ' 37' ' ' GLY . 0.5 OUTLIER -55.86 -53.33 58.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.105 . . . . 0.0 108.24 -179.957 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.552 ' N ' ' SG ' ' A' ' 36' ' ' CYS . . . -114.36 42.99 1.79 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.517 1.136 . . . . 0.0 111.015 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.521 ' O ' ' CG2' ' A' ' 10' ' ' THR . 24.1 tp60 -119.79 -40.35 2.76 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.447 0.734 . . . . 0.0 110.33 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 92.2 m -122.5 -37.29 2.8 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.539 1.149 . . . . 0.0 108.297 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.521 ' CZ ' ' HB2' ' A' ' 21' ' ' TRP . 0.6 OUTLIER -118.64 -176.87 3.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 110.984 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.527 ' O ' ' HB ' ' A' ' 44' ' ' VAL . 0.0 OUTLIER -148.17 156.03 42.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 109.979 -179.974 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.65 ' CD2' ' HA ' ' A' ' 43' ' ' PRO . 0.2 OUTLIER -54.06 154.71 7.34 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 111.043 179.948 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.65 ' HA ' ' CD2' ' A' ' 42' ' ' PHE . 18.4 Cg_endo -75.01 8.7 9.87 Favored 'Cis proline' 0 C--N 1.36 1.152 0 C-N-CA 120.999 -2.501 . . . . 0.0 110.965 0.02 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.532 HG21 ' CG ' ' A' ' 5' ' ' PHE . 2.4 t -70.06 -39.92 77.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.098 . . . . 0.0 109.298 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.493 ' HB3' ' N ' ' A' ' 42' ' ' PHE . 0.1 OUTLIER -51.72 -20.44 2.11 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.548 1.155 . . . . 0.0 109.968 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.581 ' HB2' ' CE1' ' A' ' 42' ' ' PHE . 10.4 tt0 -80.99 -32.22 34.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 110.26 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' SER . . . . . 0.413 ' OG ' ' O ' ' A' ' 44' ' ' VAL . 17.7 p -76.03 -37.75 58.01 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 110.028 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . 0.401 ' HA ' ' CZ3' ' A' ' 21' ' ' TRP . 0.1 OUTLIER -54.2 -55.62 26.25 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.134 . . . . 0.0 108.344 179.948 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -68.76 -17.91 64.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.139 . . . . 0.0 109.285 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -77.58 -52.37 5.54 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.466 1.104 . . . . 0.0 110.986 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' MET . . . . . 0.443 ' CB ' ' CZ2' ' A' ' 21' ' ' TRP . 0.8 OUTLIER -84.99 13.87 5.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 0.762 . . . . 0.0 110.99 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -91.12 31.25 1.12 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.301 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.402 ' OD2' ' O ' ' A' ' 27' ' ' GLY . 2.8 m-20 57.6 161.53 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.315 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -100.26 -86.39 0.39 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.453 1.096 . . . . 0.0 109.992 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -105.21 -7.16 19.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 109.285 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 13.7 t0 -74.3 -18.38 60.72 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.512 1.133 . . . . 0.0 109.276 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . 0.419 ' CB ' ' CD ' ' A' ' 58' ' ' PRO . 0.0 OUTLIER -76.08 174.6 5.34 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.459 1.099 . . . . 0.0 108.319 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.419 ' CD ' ' CB ' ' A' ' 57' ' ' CYS . 18.1 Cg_endo -75.05 0.1 9.34 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.506 1.793 . . . . 0.0 110.975 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 23.5 m120 -81.91 148.83 28.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 109.32 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 109.3 -179.998 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 81.3 m-20 . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -110.9 -35.67 2.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 109.272 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -55.85 -32.22 63.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.11 . . . . 0.0 110.303 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -74.05 -4.42 35.35 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.112 . . . . 0.0 109.333 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 20.6 m-85 -128.0 18.06 6.66 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 0.0 111.014 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.538 ' CG ' ' HB3' ' A' ' 17' ' ' SER . 5.0 t80 -78.73 134.83 37.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 111.016 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.465 ' N ' ' O ' ' A' ' 39' ' ' CYS . 19.6 p -121.82 89.22 3.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.45 1.094 . . . . 0.0 110.443 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -67.44 -9.63 43.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.987 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -68.46 -50.73 50.35 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.132 . . . . 0.0 110.27 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.517 ' CG2' ' O ' ' A' ' 38' ' ' GLN . 0.6 OUTLIER -93.94 -28.71 15.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 110.426 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.502 ' SG ' ' CB ' ' A' ' 20' ' ' ALA . 7.9 t -64.55 137.67 97.21 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 108.299 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.57 ' HG2' ' CE2' ' A' ' 13' ' ' TYR . 18.3 Cg_endo -74.99 -4.21 15.07 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.511 1.795 . . . . 0.0 111.0 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.57 ' CE2' ' HG2' ' A' ' 12' ' ' PRO . 28.2 m-85 -124.21 149.23 46.61 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.576 1.172 . . . . 0.0 111.003 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.455 ' HD3' ' N ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -139.32 27.77 2.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 0.0 109.3 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -94.92 -43.68 8.07 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.448 1.092 . . . . 0.0 109.334 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -165.49 155.03 12.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 109.268 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.538 ' HB3' ' CG ' ' A' ' 6' ' ' TYR . 1.8 p -72.99 -33.79 66.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.967 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 76.1 mt-30 -73.1 -26.91 61.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 110.296 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.432 HD12 ' N ' ' A' ' 20' ' ' ALA . 0.3 OUTLIER -62.73 -57.4 11.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 0.0 109.325 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.502 ' CB ' ' SG ' ' A' ' 11' ' ' CYS . . . -61.1 -34.41 74.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 109.312 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' TRP . . . . . 0.544 ' HB2' ' CZ ' ' A' ' 40' ' ' PHE . 9.5 t-105 -68.03 -43.69 78.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.133 . . . . 0.0 107.992 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -65.49 -14.0 60.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.113 . . . . 0.0 109.292 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -80.44 -58.0 3.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.44 1.088 . . . . 0.0 110.385 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.446 ' SG ' ' N ' ' A' ' 25' ' ' SER . 0.0 OUTLIER -87.31 -68.38 0.76 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.13 . . . . 0.0 108.303 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.532 ' HB2' ' CE2' ' A' ' 21' ' ' TRP . 0.1 OUTLIER -80.32 51.89 1.5 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.115 . . . . 0.0 109.981 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -125.94 5.25 7.89 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.486 1.116 . . . . 0.0 111.019 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . 0.407 ' O ' ' SG ' ' A' ' 57' ' ' CYS . . . 104.87 -45.56 1.29 Allowed Glycine 0 CA--C 1.531 1.057 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 81.9 p -130.05 -171.65 2.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 0.776 . . . . 0.0 110.406 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 94.04 -130.67 10.41 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.507 1.129 . . . . 0.0 111.035 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 5.8 p30 -103.1 37.36 1.99 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 0.786 . . . . 0.0 109.296 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.4 ' SG ' ' O ' ' A' ' 52' ' ' ALA . 0.7 OUTLIER -54.9 133.78 48.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 108.284 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 179.48 177.95 48.09 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.501 1.126 . . . . 0.0 110.991 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.418 ' HA ' ' SG ' ' A' ' 36' ' ' CYS . 96.2 m -85.16 -5.41 59.33 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.522 0.778 . . . . 0.0 110.401 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.465 ' O ' ' HB2' ' A' ' 38' ' ' GLN . 97.5 t -81.34 -34.22 13.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.484 1.115 . . . . 0.0 109.285 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -62.77 -14.67 47.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.149 . . . . 0.0 108.343 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.437 ' SG ' ' O ' ' A' ' 45' ' ' SER . 61.4 m -55.99 -76.47 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.548 1.155 . . . . 0.0 108.302 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -88.1 44.14 3.19 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.498 1.124 . . . . 0.0 111.025 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.517 ' O ' ' CG2' ' A' ' 10' ' ' THR . 3.8 tt0 -121.09 -35.17 3.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 0.777 . . . . 0.0 110.32 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.465 ' O ' ' N ' ' A' ' 7' ' ' THR . 71.1 m -126.55 -44.13 1.7 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.123 . . . . 0.0 108.297 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.544 ' CZ ' ' HB2' ' A' ' 21' ' ' TRP . 0.4 OUTLIER -112.74 178.61 4.23 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 0.0 110.955 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.496 ' O ' ' HB ' ' A' ' 44' ' ' VAL . 1.2 p -139.27 158.06 44.83 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.522 1.139 . . . . 0.0 109.959 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.627 ' CD2' ' HA ' ' A' ' 43' ' ' PRO . 0.2 OUTLIER -54.75 154.83 8.71 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 111.039 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.627 ' HA ' ' CD2' ' A' ' 42' ' ' PHE . 18.4 Cg_endo -74.99 7.82 10.53 Favored 'Cis proline' 0 C--N 1.359 1.114 0 C-N-CA 120.991 -2.504 . . . . 0.0 111.036 0.021 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.496 ' HB ' ' O ' ' A' ' 41' ' ' SER . 2.1 t -70.43 -38.68 74.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 109.358 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.542 ' HB3' ' N ' ' A' ' 42' ' ' PHE . 0.2 OUTLIER -52.73 -18.62 1.92 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 0.0 110.007 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.601 ' HB2' ' CE1' ' A' ' 42' ' ' PHE . 3.7 tt0 -86.5 -24.62 25.49 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.524 1.14 . . . . 0.0 110.296 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.7 m -75.25 -37.81 60.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 110.002 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -53.86 -63.05 1.27 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 108.296 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.49 -15.93 31.86 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.117 . . . . 0.0 109.325 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -82.48 -55.53 3.01 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.438 1.086 . . . . 0.0 110.998 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' MET . . . . . 0.519 ' CB ' ' CZ2' ' A' ' 21' ' ' TRP . 0.0 OUTLIER -85.38 15.05 4.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 0.785 . . . . 0.0 111.039 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.422 ' O ' ' O ' ' A' ' 53' ' ' ASP . . . -89.25 21.54 3.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 109.266 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.422 ' O ' ' O ' ' A' ' 52' ' ' ALA . 7.5 m-20 59.53 152.47 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.12 . . . . 0.0 109.244 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -105.68 -85.76 0.48 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.519 1.137 . . . . 0.0 110.013 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 3.3 t30 -90.32 -11.7 39.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 109.315 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -74.71 -30.37 61.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 109.31 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . 0.407 ' SG ' ' O ' ' A' ' 27' ' ' GLY . 0.1 OUTLIER -81.85 170.26 15.7 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 108.29 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 56.48 4.24 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.469 1.773 . . . . 0.0 111.041 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -99.87 -158.8 0.7 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 109.285 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.33 179.999 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -84.65 -30.71 7.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.13 . . . . 0.0 109.326 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -60.32 -31.0 69.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 0.0 110.3 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 79.1 m-20 -74.11 -5.08 39.52 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.482 1.114 . . . . 0.0 109.306 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 16.3 m-85 -127.41 14.24 7.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 0.0 111.033 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.556 ' CG ' ' HB3' ' A' ' 17' ' ' SER . 4.2 t80 -78.46 128.78 34.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 110.98 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.407 ' OG1' ' O ' ' A' ' 7' ' ' THR . 10.2 p -114.95 89.71 3.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 110.41 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 38.2 t -71.38 -5.29 31.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 109.992 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -73.25 -48.14 37.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 110.295 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.502 ' CG2' ' O ' ' A' ' 38' ' ' GLN . 0.6 OUTLIER -97.52 -26.32 14.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 110.381 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.406 ' SG ' ' CB ' ' A' ' 20' ' ' ALA . 15.5 t -64.54 136.29 96.71 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.145 . . . . 0.0 108.316 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.403 ' HD2' ' SG ' ' A' ' 11' ' ' CYS . 18.4 Cg_endo -75.0 -20.6 16.71 Favored 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.53 1.805 . . . . 0.0 110.967 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 84.4 m-85 -101.48 178.22 4.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 111.006 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.443 ' HD2' ' N ' ' A' ' 15' ' ' ASN . 0.8 OUTLIER -155.75 -159.28 0.89 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.313 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . 0.443 ' N ' ' HD2' ' A' ' 14' ' ' LYS . 1.6 t30 77.27 -67.58 0.2 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 109.284 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -143.05 160.33 40.58 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.45 1.094 . . . . 0.0 109.296 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.556 ' HB3' ' CG ' ' A' ' 6' ' ' TYR . 79.4 p -77.59 -31.4 53.03 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.5 1.125 . . . . 0.0 110.046 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 19.0 mt-30 -65.11 -18.85 65.65 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.512 1.132 . . . . 0.0 110.308 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 52.6 tp -69.45 -55.18 11.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.295 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.406 ' CB ' ' SG ' ' A' ' 11' ' ' CYS . . . -67.94 -34.19 76.11 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.546 1.154 . . . . 0.0 109.329 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' TRP . . . . . 0.584 ' CZ2' ' CB ' ' A' ' 51' ' ' MET . 7.4 t-105 -68.69 -37.85 79.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.106 . . . . 0.0 108.025 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -65.11 -14.95 61.8 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 109.328 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.434 ' CG2' ' N ' ' A' ' 24' ' ' CYS . 0.7 OUTLIER -84.96 -68.7 0.7 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.13 . . . . 0.0 110.383 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.434 ' N ' ' CG2' ' A' ' 23' ' ' THR . 0.0 OUTLIER -70.14 -71.62 0.23 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.462 1.101 . . . . 0.0 108.287 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.551 ' OG ' ' CD2' ' A' ' 21' ' ' TRP . 0.1 OUTLIER -77.83 52.73 1.06 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 109.977 180.0 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -125.93 3.93 7.94 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.523 1.139 . . . . 0.0 110.988 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . 0.404 ' O ' ' SG ' ' A' ' 57' ' ' CYS . . . 105.17 -41.43 2.16 Favored Glycine 0 CA--C 1.53 0.987 0 N-CA-C 111.016 -0.833 . . . . 0.0 111.016 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.401 ' O ' ' O ' ' A' ' 23' ' ' THR . 62.3 p -132.0 -159.33 0.96 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.561 0.801 . . . . 0.0 110.398 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 84.39 -127.51 8.16 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.475 1.109 . . . . 0.0 111.025 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 1.3 p-10 -109.66 43.36 1.33 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 0.756 . . . . 0.0 109.331 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.402 ' SG ' ' O ' ' A' ' 52' ' ' ALA . 0.7 OUTLIER -61.39 131.2 49.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 108.3 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -177.21 -177.75 46.36 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.474 1.109 . . . . 0.0 110.997 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.426 ' HA ' ' SG ' ' A' ' 36' ' ' CYS . 96.5 m -85.14 -6.28 59.3 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 0.774 . . . . 0.0 110.388 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.501 ' O ' ' HB2' ' A' ' 38' ' ' GLN . 70.6 t -81.43 -34.28 13.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 0.0 109.323 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -62.79 -18.56 62.91 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.458 1.099 . . . . 0.0 108.326 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.432 ' SG ' ' O ' ' A' ' 45' ' ' SER . 63.4 m -54.64 -77.14 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.119 . . . . 0.0 108.296 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -87.11 48.0 3.76 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.518 1.136 . . . . 0.0 110.991 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.502 ' O ' ' CG2' ' A' ' 10' ' ' THR . 2.5 tp60 -120.98 -50.23 2.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 0.769 . . . . 0.0 110.321 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.403 ' SG ' ' HD2' ' A' ' 12' ' ' PRO . 75.4 m -115.05 -34.74 4.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.559 1.162 . . . . 0.0 108.326 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.559 ' CZ ' ' HB2' ' A' ' 21' ' ' TRP . 0.9 OUTLIER -118.74 177.28 4.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 110.963 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.489 ' O ' ' HB ' ' A' ' 44' ' ' VAL . 0.3 OUTLIER -140.8 158.9 43.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.532 1.145 . . . . 0.0 109.967 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.638 ' CD2' ' HA ' ' A' ' 43' ' ' PRO . 0.2 OUTLIER -55.05 154.85 9.43 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 110.982 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.638 ' HA ' ' CD2' ' A' ' 42' ' ' PHE . 18.4 Cg_endo -74.96 7.58 10.67 Favored 'Cis proline' 0 C--N 1.36 1.17 0 C-N-CA 121.01 -2.496 . . . . 0.0 111.019 -0.027 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.489 ' HB ' ' O ' ' A' ' 41' ' ' SER . 2.1 t -70.56 -38.21 72.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 109.299 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.553 ' HB3' ' N ' ' A' ' 42' ' ' PHE . 0.2 OUTLIER -52.33 -18.78 1.73 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.43 1.081 . . . . 0.0 110.01 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.601 ' HB2' ' CE1' ' A' ' 42' ' ' PHE . 10.4 tt0 -86.6 -25.38 24.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.451 1.094 . . . . 0.0 110.298 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' SER . . . . . 0.421 ' N ' ' O ' ' A' ' 44' ' ' VAL . 3.4 m -75.45 -37.49 60.31 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 0.0 110.024 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . 0.404 ' SG ' ' N ' ' A' ' 36' ' ' CYS . 0.1 OUTLIER -53.74 -65.22 0.6 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 108.315 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -58.8 -16.84 18.94 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 109.286 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -80.93 -54.24 3.69 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.504 1.128 . . . . 0.0 111.018 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' MET . . . . . 0.584 ' CB ' ' CZ2' ' A' ' 21' ' ' TRP . 0.0 OUTLIER -85.35 15.51 4.34 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 0.747 . . . . 0.0 110.962 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.402 ' O ' ' SG ' ' A' ' 31' ' ' CYS . . . -89.49 22.74 2.84 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.474 1.109 . . . . 0.0 109.234 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.401 ' O ' ' O ' ' A' ' 52' ' ' ALA . 2.3 m-20 60.11 151.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.154 . . . . 0.0 109.274 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -103.37 -86.08 0.44 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 110.002 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 5.3 t-20 -89.29 -11.71 42.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 109.284 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -75.0 -32.56 61.68 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 109.324 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . 0.404 ' SG ' ' O ' ' A' ' 27' ' ' GLY . 0.1 OUTLIER -75.81 160.4 78.94 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.139 . . . . 0.0 108.277 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 55.49 3.97 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.467 1.772 . . . . 0.0 110.982 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 28.4 m120 -91.04 165.12 13.69 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.476 1.11 . . . . 0.0 109.306 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.442 1.089 . . . . 0.0 109.296 179.981 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 5.7 t70 . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -91.66 -35.09 6.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.33 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.61 -30.58 63.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.549 1.156 . . . . 0.0 110.288 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 37.5 m-20 -74.06 -4.79 37.67 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.481 1.113 . . . . 0.0 109.32 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 12.3 m-85 -126.87 17.55 7.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.554 1.159 . . . . 0.0 110.985 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.527 ' CG ' ' HB3' ' A' ' 17' ' ' SER . 5.0 t80 -78.61 128.44 33.5 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.52 1.138 . . . . 0.0 110.992 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.412 ' O ' ' OG1' ' A' ' 7' ' ' THR . 9.8 p -116.55 91.29 3.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.553 1.158 . . . . 0.0 110.399 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -70.9 -5.83 33.7 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 110.011 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -71.63 -43.91 65.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.447 1.092 . . . . 0.0 110.311 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.53 ' CG2' ' O ' ' A' ' 38' ' ' GLN . 0.4 OUTLIER -102.05 -27.88 12.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 0.0 110.388 -179.96 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.488 ' SG ' ' CB ' ' A' ' 20' ' ' ALA . 8.4 t -64.61 137.48 97.15 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 108.284 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.536 ' HG2' ' CE2' ' A' ' 13' ' ' TYR . 18.3 Cg_endo -74.97 -5.19 16.48 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.52 1.8 . . . . 0.0 111.042 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.536 ' CE2' ' HG2' ' A' ' 12' ' ' PRO . 24.7 m-85 -122.75 148.65 45.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.135 . . . . 0.0 110.977 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.463 ' HD3' ' N ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -140.01 28.35 2.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.113 . . . . 0.0 109.303 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -96.96 -42.64 7.82 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 109.287 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -165.51 152.4 10.24 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.528 1.142 . . . . 0.0 109.313 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.527 ' HB3' ' CG ' ' A' ' 6' ' ' TYR . 1.6 p -71.42 -35.26 70.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 109.971 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.407 ' O ' ' N ' ' A' ' 22' ' ' ASP . 5.2 mt-30 -70.93 -27.25 63.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 110.294 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.436 ' CD1' ' HB3' ' A' ' 13' ' ' TYR . 0.3 OUTLIER -62.53 -57.31 11.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.547 1.154 . . . . 0.0 109.339 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.488 ' CB ' ' SG ' ' A' ' 11' ' ' CYS . . . -59.89 -34.23 72.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 0.0 109.294 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' TRP . . . . . 0.59 ' CZ2' ' CB ' ' A' ' 51' ' ' MET . 7.1 t-105 -70.68 -40.08 73.15 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 107.987 -1.116 . . . . 0.0 107.987 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.407 ' N ' ' O ' ' A' ' 18' ' ' GLN . 0.4 OUTLIER -64.6 -13.44 53.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 109.264 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.483 ' CG2' ' N ' ' A' ' 24' ' ' CYS . 0.7 OUTLIER -83.99 -70.15 0.59 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 110.408 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.504 ' O ' ' CB ' ' A' ' 31' ' ' CYS . 0.0 OUTLIER -70.25 -70.53 0.29 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 108.314 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.446 ' N ' ' SG ' ' A' ' 24' ' ' CYS . 0.0 OUTLIER -77.42 52.1 0.92 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 109.989 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -126.67 -0.84 7.16 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.469 1.106 . . . . 0.0 110.983 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 101.31 -46.23 1.31 Allowed Glycine 0 CA--C 1.531 1.043 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.411 ' O ' ' O ' ' A' ' 23' ' ' THR . 75.7 p -122.26 -171.74 2.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 0.776 . . . . 0.0 110.434 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 91.96 -105.83 3.33 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.474 1.109 . . . . 0.0 111.004 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 1.1 p-10 -140.94 51.94 1.61 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 0.748 . . . . 0.0 109.3 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.504 ' CB ' ' O ' ' A' ' 24' ' ' CYS . 1.2 p -67.07 141.88 57.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.558 1.161 . . . . 0.0 108.279 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 179.75 -179.43 48.83 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.493 1.121 . . . . 0.0 110.978 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.439 ' HA ' ' SG ' ' A' ' 36' ' ' CYS . 52.5 m -85.41 -5.98 59.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 0.77 . . . . 0.0 110.425 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.453 ' O ' ' HB2' ' A' ' 38' ' ' GLN . 60.4 t -79.64 -35.68 16.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.272 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -62.7 -14.75 47.79 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.134 . . . . 0.0 108.334 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.441 ' O ' ' O ' ' A' ' 40' ' ' PHE . 85.0 m -55.84 -68.33 0.21 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 108.303 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -98.22 45.84 1.62 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.437 1.086 . . . . 0.0 111.002 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.53 ' O ' ' CG2' ' A' ' 10' ' ' THR . 8.1 tp60 -121.28 -36.8 3.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 0.762 . . . . 0.0 110.296 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.408 ' O ' ' N ' ' A' ' 7' ' ' THR . 71.8 m -125.46 -39.43 2.18 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 108.275 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.562 ' CZ ' ' HB2' ' A' ' 21' ' ' TRP . 0.6 OUTLIER -116.3 177.98 4.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 111.023 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.511 ' O ' ' HB ' ' A' ' 44' ' ' VAL . 0.0 OUTLIER -139.94 158.02 44.75 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 110.017 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.617 ' CD2' ' HA ' ' A' ' 43' ' ' PRO . 0.2 OUTLIER -55.05 154.86 9.42 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 110.982 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.617 ' HA ' ' CD2' ' A' ' 42' ' ' PHE . 18.2 Cg_endo -75.01 8.35 10.14 Favored 'Cis proline' 0 C--N 1.36 1.172 0 C-N-CA 121.035 -2.485 . . . . 0.0 110.959 0.004 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.511 ' HB ' ' O ' ' A' ' 41' ' ' SER . 2.1 t -70.91 -38.52 72.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.537 1.148 . . . . 0.0 109.288 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.544 ' HB3' ' N ' ' A' ' 42' ' ' PHE . 0.1 OUTLIER -52.73 -18.42 1.82 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.464 1.103 . . . . 0.0 109.966 -179.945 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.584 ' HB2' ' CE1' ' A' ' 42' ' ' PHE . 0.5 OUTLIER -87.59 -25.01 23.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.531 1.145 . . . . 0.0 110.294 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' SER . . . . . 0.435 ' N ' ' O ' ' A' ' 44' ' ' VAL . 3.9 m -75.19 -37.53 61.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 110.022 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -53.15 -68.16 0.19 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.471 1.107 . . . . 0.0 108.319 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -55.36 -19.38 8.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.101 . . . . 0.0 109.288 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -78.03 -52.78 5.16 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.507 1.129 . . . . 0.0 111.005 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' MET . . . . . 0.59 ' CB ' ' CZ2' ' A' ' 21' ' ' TRP . 0.0 OUTLIER -85.65 16.89 3.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 0.765 . . . . 0.0 111.011 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.407 ' O ' ' O ' ' A' ' 53' ' ' ASP . . . -88.84 20.19 3.66 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.46 1.1 . . . . 0.0 109.334 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.469 ' OD1' ' N ' ' A' ' 54' ' ' SER . 0.3 OUTLIER 50.12 -179.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 109.305 -179.971 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.469 ' N ' ' OD1' ' A' ' 53' ' ' ASP . 0.6 OUTLIER -119.42 -81.77 0.64 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 110.029 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -93.46 -4.97 50.27 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 0.0 109.309 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.466 ' N ' ' OD1' ' A' ' 56' ' ' ASP . 0.0 OUTLIER -73.38 -16.95 61.32 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.508 1.13 . . . . 0.0 109.333 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . 0.457 ' N ' ' OD1' ' A' ' 53' ' ' ASP . 0.1 OUTLIER -85.24 151.71 57.12 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 108.356 179.964 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 57.25 4.53 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.473 1.775 . . . . 0.0 110.966 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 95.3 m-20 -102.29 -178.74 3.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.556 1.16 . . . . 0.0 109.263 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.447 1.092 . . . . 0.0 109.344 179.953 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 109.319 -0.622 . . . . 0.0 109.319 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -97.11 -35.5 5.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 109.303 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -54.25 -29.53 47.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 110.298 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -74.69 -11.22 60.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 109.269 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.525 ' CG ' HG23 ' A' ' 44' ' ' VAL . 20.7 m-85 -122.58 17.25 10.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.145 . . . . 0.0 110.998 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.516 ' CD2' ' HB3' ' A' ' 17' ' ' SER . 1.1 t80 -78.07 115.71 18.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.115 . . . . 0.0 110.993 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.401 ' O ' ' HB2' ' A' ' 11' ' ' CYS . 69.7 p -98.83 83.85 3.01 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.571 1.169 . . . . 0.0 110.362 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -67.89 -7.65 30.01 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.537 1.148 . . . . 0.0 110.019 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -72.32 -53.98 10.83 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 110.289 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.517 ' CG2' ' O ' ' A' ' 38' ' ' GLN . 0.1 OUTLIER -90.54 -27.83 18.91 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 110.339 -179.942 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.481 ' SG ' ' CB ' ' A' ' 20' ' ' ALA . 10.9 t -64.18 136.47 96.76 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.125 . . . . 0.0 108.274 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.406 ' HD2' ' SG ' ' A' ' 11' ' ' CYS . 18.3 Cg_endo -74.99 -3.93 14.66 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.546 1.814 . . . . 0.0 111.004 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 73.1 m-85 -118.67 163.84 16.24 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 111.034 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.417 ' HD3' ' N ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -155.12 25.19 0.42 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 109.325 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . 0.549 ' O ' ' CB ' ' A' ' 16' ' ' ASP . 13.0 m-20 -117.37 63.65 0.73 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 109.295 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . 0.549 ' CB ' ' O ' ' A' ' 15' ' ' ASN . 4.4 t0 85.43 133.93 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.258 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.516 ' HB3' ' CD2' ' A' ' 6' ' ' TYR . 68.6 p -63.88 -27.89 69.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 110.028 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 49.9 mt-30 -64.37 -17.79 64.06 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.537 1.148 . . . . 0.0 110.28 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 64.7 tp -75.76 -62.28 1.64 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.543 1.152 . . . . 0.0 109.348 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.481 ' CB ' ' SG ' ' A' ' 11' ' ' CYS . . . -61.6 -30.96 71.02 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.518 1.137 . . . . 0.0 109.278 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' TRP . . . . . 0.568 ' CD2' ' OG ' ' A' ' 25' ' ' SER . 6.5 t-105 -73.91 -38.98 64.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 107.978 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -66.11 -11.27 47.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 0.0 109.33 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.465 ' CG2' ' N ' ' A' ' 24' ' ' CYS . 0.8 OUTLIER -86.87 -73.62 0.46 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 110.401 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.465 ' N ' ' CG2' ' A' ' 23' ' ' THR . 0.0 OUTLIER -67.91 -60.03 2.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 108.282 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.568 ' OG ' ' CD2' ' A' ' 21' ' ' TRP . 0.0 OUTLIER -78.88 52.31 1.23 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.493 1.12 . . . . 0.0 109.995 -179.975 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -134.41 -135.01 3.47 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.489 1.118 . . . . 0.0 111.045 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -105.07 -44.01 1.56 Allowed Glycine 0 CA--C 1.529 0.942 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 75.2 p -130.48 -159.24 0.95 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.475 0.75 . . . . 0.0 110.375 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 92.99 -115.83 4.98 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.514 1.134 . . . . 0.0 111.028 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -136.11 64.86 1.55 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.521 0.777 . . . . 0.0 109.273 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.438 ' CB ' ' O ' ' A' ' 24' ' ' CYS . 10.4 p -78.78 137.59 37.81 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.112 . . . . 0.0 108.325 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 173.41 -175.07 46.22 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.515 1.134 . . . . 0.0 111.0 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.421 ' O ' ' SG ' ' A' ' 36' ' ' CYS . 65.3 m -84.9 -4.47 59.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 0.767 . . . . 0.0 110.402 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.433 ' O ' ' HB2' ' A' ' 38' ' ' GLN . 74.1 t -74.2 -44.19 49.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 109.287 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -63.15 -14.7 51.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.553 1.158 . . . . 0.0 108.298 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.549 ' SG ' ' N ' ' A' ' 37' ' ' GLY . 0.5 OUTLIER -54.77 -53.08 59.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 108.34 179.988 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.549 ' N ' ' SG ' ' A' ' 36' ' ' CYS . . . -113.79 41.8 2.11 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.492 1.12 . . . . 0.0 111.013 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.517 ' O ' ' CG2' ' A' ' 10' ' ' THR . 5.3 tp60 -119.98 -50.09 2.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 0.767 . . . . 0.0 110.311 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.401 ' SG ' ' HD2' ' A' ' 12' ' ' PRO . 87.8 m -111.78 -23.24 10.71 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.491 1.119 . . . . 0.0 108.279 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.425 ' O ' ' O ' ' A' ' 36' ' ' CYS . 0.7 OUTLIER -135.34 -176.17 4.18 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.132 . . . . 0.0 110.94 180.0 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.495 ' O ' ' HB ' ' A' ' 44' ' ' VAL . 0.9 OUTLIER -150.54 157.13 42.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 110.001 -179.972 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.675 ' CD2' ' HA ' ' A' ' 43' ' ' PRO . 0.2 OUTLIER -54.45 154.61 8.39 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.547 1.155 . . . . 0.0 111.005 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.675 ' HA ' ' CD2' ' A' ' 42' ' ' PHE . 18.4 Cg_endo -75.0 7.92 10.46 Favored 'Cis proline' 0 C--N 1.359 1.126 0 C-N-CA 121.032 -2.487 . . . . 0.0 110.955 0.046 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.525 HG23 ' CG ' ' A' ' 5' ' ' PHE . 2.1 t -70.75 -38.92 74.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 109.322 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.49 ' HB3' ' N ' ' A' ' 42' ' ' PHE . 0.4 OUTLIER -51.73 -25.42 7.39 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.48 1.112 . . . . 0.0 109.996 -179.974 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.57 ' HB2' ' CE1' ' A' ' 42' ' ' PHE . 1.9 tt0 -74.45 -30.77 62.02 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.514 1.134 . . . . 0.0 110.279 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -76.39 -38.66 55.38 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.538 1.149 . . . . 0.0 109.981 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . 0.41 ' SG ' ' N ' ' A' ' 36' ' ' CYS . 0.3 OUTLIER -53.92 -45.35 71.16 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 108.275 -179.971 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -76.08 -22.73 55.29 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.105 . . . . 0.0 109.307 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -76.22 -53.82 5.47 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.549 1.155 . . . . 0.0 111.003 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 2.2 tpt -86.23 21.64 1.99 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 0.762 . . . . 0.0 111.018 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.402 ' O ' ' O ' ' A' ' 53' ' ' ASP . . . -87.65 42.3 1.04 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.106 . . . . 0.0 109.312 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.426 ' OD1' ' N ' ' A' ' 54' ' ' SER . 35.0 t0 54.42 170.42 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 0.0 109.303 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.426 ' N ' ' OD1' ' A' ' 53' ' ' ASP . 0.4 OUTLIER -104.06 -89.73 0.4 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.491 1.12 . . . . 0.0 109.999 -179.972 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 4.5 t30 -113.87 -9.2 13.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.147 . . . . 0.0 109.298 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 22.9 m-20 -74.84 -4.15 36.12 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 109.272 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . 0.41 ' N ' ' OD2' ' A' ' 53' ' ' ASP . 0.1 OUTLIER -81.58 151.05 67.9 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.135 . . . . 0.0 108.265 -179.968 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 57.81 4.68 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.475 1.776 . . . . 0.0 110.975 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 8.1 m120 -93.17 163.73 13.52 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.486 1.116 . . . . 0.0 109.289 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 109.289 179.95 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 . . . . . 0 N--CA 1.452 -0.333 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -101.5 -36.02 4.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.125 . . . . 0.0 109.294 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -54.33 -28.8 45.1 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.494 1.121 . . . . 0.0 110.297 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 61.8 m-20 -74.6 -11.17 60.13 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 109.358 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.523 ' CG ' HG21 ' A' ' 44' ' ' VAL . 14.3 m-85 -123.25 16.95 9.86 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.48 1.113 . . . . 0.0 110.993 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.528 ' CD2' ' HB3' ' A' ' 17' ' ' SER . 1.4 t80 -77.86 122.23 25.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 0.0 110.989 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 72.0 p -106.25 86.87 2.43 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.526 1.141 . . . . 0.0 110.418 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.26 -5.59 28.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.144 . . . . 0.0 110.017 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -74.13 -53.07 10.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 110.291 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.487 ' CG2' ' O ' ' A' ' 38' ' ' GLN . 0.2 OUTLIER -91.86 -27.53 17.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 0.0 110.371 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.471 ' SG ' ' CB ' ' A' ' 20' ' ' ALA . 18.3 t -63.92 136.55 96.78 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.133 . . . . 0.0 108.3 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.411 ' HD2' ' SG ' ' A' ' 11' ' ' CYS . 18.2 Cg_endo -75.03 -1.93 11.88 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.523 1.802 . . . . 0.0 110.987 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 98.2 m-85 -117.59 163.83 15.86 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.468 1.105 . . . . 0.0 110.964 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.431 ' HD3' ' N ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -155.67 30.23 0.37 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 109.347 179.969 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . 0.524 ' O ' ' CB ' ' A' ' 16' ' ' ASP . 18.4 m-20 -128.76 68.88 1.38 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.555 1.16 . . . . 0.0 109.276 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . 0.524 ' CB ' ' O ' ' A' ' 15' ' ' ASN . 3.7 t0 83.88 132.63 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.482 1.113 . . . . 0.0 109.296 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.528 ' HB3' ' CD2' ' A' ' 6' ' ' TYR . 42.9 p -65.28 -22.91 66.91 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 109.997 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.509 ' O ' ' CB ' ' A' ' 22' ' ' ASP . 40.5 mt-30 -68.6 -23.15 64.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.548 1.155 . . . . 0.0 110.293 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 51.9 tp -69.9 -55.22 10.28 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 109.309 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.471 ' CB ' ' SG ' ' A' ' 11' ' ' CYS . . . -68.92 -31.34 70.16 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.534 1.146 . . . . 0.0 109.287 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' TRP . . . . . 0.561 ' CD2' ' OG ' ' A' ' 25' ' ' SER . 7.3 t-105 -73.52 -45.74 51.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 0.0 108.03 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.509 ' CB ' ' O ' ' A' ' 18' ' ' GLN . 29.2 t0 -67.55 -9.9 46.85 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 109.346 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.466 ' CG2' ' OD1' ' A' ' 30' ' ' ASN . 0.8 OUTLIER -81.96 -54.4 5.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 110.377 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.412 ' CB ' ' HA ' ' A' ' 31' ' ' CYS . 0.0 OUTLIER -91.23 -59.03 2.26 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.13 . . . . 0.0 108.332 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.561 ' OG ' ' CD2' ' A' ' 21' ' ' TRP . 0.0 OUTLIER -75.32 54.57 0.73 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 109.992 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -136.92 -119.37 1.83 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.468 1.105 . . . . 0.0 111.017 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -105.33 -54.53 0.74 Allowed Glycine 0 CA--C 1.53 0.972 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 61.0 p -135.86 -152.33 0.45 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.453 0.737 . . . . 0.0 110.394 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 92.6 -136.13 13.04 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.443 1.09 . . . . 0.0 110.99 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . 0.466 ' OD1' ' CG2' ' A' ' 23' ' ' THR . 2.9 p-10 -99.17 40.19 1.23 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 0.758 . . . . 0.0 109.282 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.412 ' HA ' ' CB ' ' A' ' 24' ' ' CYS . 15.5 p -69.61 129.9 40.92 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 108.305 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 178.23 -171.35 43.73 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.492 1.12 . . . . 0.0 110.989 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.414 ' HA ' ' SG ' ' A' ' 36' ' ' CYS . 87.2 m -85.25 -5.87 59.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 0.786 . . . . 0.0 110.408 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.487 ' O ' ' HB2' ' A' ' 38' ' ' GLN . 77.7 t -83.26 -34.73 11.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 109.286 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -62.82 -17.22 60.95 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.13 . . . . 0.0 108.265 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.42 ' SG ' ' O ' ' A' ' 45' ' ' SER . 72.2 m -54.72 -77.38 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 108.321 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -87.58 48.14 3.7 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.5 1.125 . . . . 0.0 110.992 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.487 ' O ' ' CG2' ' A' ' 10' ' ' THR . 4.0 tt0 -120.89 -56.08 1.96 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 0.771 . . . . 0.0 110.322 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 70.8 m -111.28 -17.98 13.04 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 0.0 108.292 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.412 ' CZ ' ' HB2' ' A' ' 21' ' ' TRP . 0.8 OUTLIER -135.25 175.83 9.23 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.534 1.147 . . . . 0.0 111.039 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.495 ' O ' ' HB ' ' A' ' 44' ' ' VAL . 3.1 m -141.33 158.48 43.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.544 1.153 . . . . 0.0 109.99 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.64 ' CD2' ' HA ' ' A' ' 43' ' ' PRO . 0.2 OUTLIER -55.36 154.79 10.87 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 111.021 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.64 ' HA ' ' CD2' ' A' ' 42' ' ' PHE . 18.2 Cg_endo -75.01 7.62 10.74 Favored 'Cis proline' 0 C--N 1.36 1.136 0 C-N-CA 120.989 -2.504 . . . . 0.0 110.981 0.023 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.523 HG21 ' CG ' ' A' ' 5' ' ' PHE . 2.0 t -70.65 -37.9 71.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.314 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.548 ' HB3' ' N ' ' A' ' 42' ' ' PHE . 0.2 OUTLIER -52.48 -18.24 1.59 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.138 . . . . 0.0 109.974 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.593 ' HB2' ' CE1' ' A' ' 42' ' ' PHE . 0.8 OUTLIER -87.54 -25.1 23.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.097 . . . . 0.0 110.28 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' SER . . . . . 0.449 ' N ' ' O ' ' A' ' 44' ' ' VAL . 0.8 OUTLIER -75.31 -38.36 60.31 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.124 . . . . 0.0 110.07 179.969 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -53.53 -66.41 0.4 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.474 1.109 . . . . 0.0 108.298 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -57.9 -18.21 21.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 109.295 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -78.58 -55.05 4.04 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.564 1.165 . . . . 0.0 111.037 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' MET . . . . . 0.442 ' HB3' ' CB ' ' A' ' 25' ' ' SER . 8.5 tpt -86.45 22.45 1.85 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.477 0.751 . . . . 0.0 111.037 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -86.14 45.9 1.27 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.123 . . . . 0.0 109.274 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 13.5 t0 53.8 172.5 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.451 1.094 . . . . 0.0 109.319 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -98.05 -87.71 0.33 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 109.971 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -115.14 -7.92 12.42 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.122 . . . . 0.0 109.295 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 36.3 m-20 -74.51 -6.43 48.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.557 1.16 . . . . 0.0 109.278 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -85.15 150.3 54.69 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 108.329 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 57.38 4.53 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.483 1.781 . . . . 0.0 111.02 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 12.2 m120 -86.25 168.29 14.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.303 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.551 1.157 . . . . 0.0 109.307 -179.963 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 72.0 m-20 . . . . . 0 N--CA 1.454 -0.261 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -109.81 -33.86 2.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 0.0 109.274 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -53.75 -28.75 36.28 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.462 1.101 . . . . 0.0 110.29 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 27.3 m-20 -74.4 -11.56 60.28 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 109.323 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.426 ' CG ' HG21 ' A' ' 44' ' ' VAL . 13.6 m-85 -120.82 18.06 11.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 110.998 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.583 ' CD1' ' OG ' ' A' ' 17' ' ' SER . 1.8 t80 -78.02 122.14 25.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.101 . . . . 0.0 110.998 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.419 ' OG1' ' O ' ' A' ' 7' ' ' THR . 9.2 p -109.0 89.13 2.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 110.404 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 36.0 t -75.93 -0.13 20.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 109.976 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -77.37 -41.62 39.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 110.307 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.469 ' CG2' ' O ' ' A' ' 38' ' ' GLN . 0.8 OUTLIER -107.38 -24.83 11.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 110.362 -179.953 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.417 ' SG ' ' CB ' ' A' ' 20' ' ' ALA . 33.9 t -64.39 136.3 96.7 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 0.0 108.326 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.408 ' HD2' ' SG ' ' A' ' 11' ' ' CYS . 18.4 Cg_endo -74.93 -1.99 11.93 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.478 1.778 . . . . 0.0 111.013 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 98.4 m-85 -123.08 148.92 45.09 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.54 1.15 . . . . 0.0 111.015 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.519 ' HZ1' ' ND2' ' A' ' 15' ' ' ASN . 0.0 OUTLIER -137.05 29.97 2.77 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.141 . . . . 0.0 109.329 -179.974 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . 0.519 ' ND2' ' HZ1' ' A' ' 14' ' ' LYS . 57.0 m-20 -125.51 74.16 1.38 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 109.278 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . 0.432 ' CB ' ' O ' ' A' ' 15' ' ' ASN . 0.2 OUTLIER 76.95 126.99 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 109.304 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.583 ' OG ' ' CD1' ' A' ' 6' ' ' TYR . 0.4 OUTLIER -61.94 -21.48 64.82 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.434 1.084 . . . . 0.0 109.986 -180.0 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 22.3 tt0 -70.65 -25.28 62.94 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.462 1.101 . . . . 0.0 110.262 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.431 ' CD2' ' HB2' ' A' ' 15' ' ' ASN . 40.1 tp -66.69 -55.42 15.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 0.0 109.295 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.417 ' CB ' ' SG ' ' A' ' 11' ' ' CYS . . . -63.48 -27.87 69.57 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.486 1.116 . . . . 0.0 109.333 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' TRP . . . . . 0.563 ' HB2' ' CZ ' ' A' ' 40' ' ' PHE . 4.5 t-105 -76.3 -42.14 46.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.576 1.172 . . . . 0.0 107.982 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -64.86 -15.31 61.73 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.443 1.09 . . . . 0.0 109.328 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.414 ' O ' ' O ' ' A' ' 28' ' ' THR . 0.7 OUTLIER -83.22 -50.9 7.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 110.339 -179.95 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.435 ' SG ' ' N ' ' A' ' 25' ' ' SER . 0.0 OUTLIER -87.82 -71.63 0.56 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 108.292 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.549 ' OG ' ' CD2' ' A' ' 21' ' ' TRP . 0.0 OUTLIER -78.49 52.6 1.18 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 110.032 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -125.05 2.63 8.44 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.449 1.093 . . . . 0.0 110.995 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 102.43 -33.12 6.81 Favored Glycine 0 CA--C 1.53 0.988 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.414 ' O ' ' O ' ' A' ' 23' ' ' THR . 40.2 p -135.78 -164.22 1.51 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.445 0.733 . . . . 0.0 110.392 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 84.85 -134.3 12.53 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.458 1.099 . . . . 0.0 111.017 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . 0.41 ' OD1' ' C ' ' A' ' 30' ' ' ASN . 43.9 p30 -103.59 39.74 1.55 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.54 0.788 . . . . 0.0 109.276 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.409 ' SG ' ' O ' ' A' ' 52' ' ' ALA . 0.7 OUTLIER -57.79 131.42 50.28 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 108.276 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -175.85 -176.62 44.22 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.56 1.162 . . . . 0.0 110.965 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.415 ' HA ' ' SG ' ' A' ' 36' ' ' CYS . 94.7 m -85.41 -6.57 59.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 0.79 . . . . 0.0 110.397 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.478 ' O ' ' HB2' ' A' ' 38' ' ' GLN . 89.0 t -80.87 -34.89 14.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 0.0 109.291 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -62.6 -16.72 57.91 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 0.0 108.328 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.433 ' SG ' ' O ' ' A' ' 45' ' ' SER . 70.6 m -55.08 -77.39 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.498 1.124 . . . . 0.0 108.333 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -87.7 49.21 3.82 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.501 1.126 . . . . 0.0 111.042 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.478 ' HB2' ' O ' ' A' ' 34' ' ' VAL . 4.7 tt0 -120.96 -58.58 1.8 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.445 0.732 . . . . 0.0 110.315 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 62.1 m -112.43 -14.25 13.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 108.286 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.563 ' CZ ' ' HB2' ' A' ' 21' ' ' TRP . 1.1 m-85 -135.26 173.85 11.26 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 110.962 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.501 ' O ' ' HB ' ' A' ' 44' ' ' VAL . 2.3 m -141.68 157.28 45.26 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.477 1.11 . . . . 0.0 109.947 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.656 ' CD2' ' HA ' ' A' ' 43' ' ' PRO . 0.2 OUTLIER -54.51 154.36 8.93 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.108 . . . . 0.0 110.975 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.656 ' HA ' ' CD2' ' A' ' 42' ' ' PHE . 18.3 Cg_endo -74.95 7.46 10.75 Favored 'Cis proline' 0 C--N 1.36 1.178 0 C-N-CA 120.977 -2.51 . . . . 0.0 110.989 -0.06 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.501 ' HB ' ' O ' ' A' ' 41' ' ' SER . 2.1 t -70.09 -37.88 73.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 109.325 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.528 ' HB3' ' N ' ' A' ' 42' ' ' PHE . 0.2 OUTLIER -52.16 -17.88 1.27 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.559 1.162 . . . . 0.0 110.005 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.603 ' HB2' ' CE1' ' A' ' 42' ' ' PHE . 27.8 tp60 -87.29 -29.9 21.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.449 1.093 . . . . 0.0 110.328 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' SER . . . . . 0.413 ' N ' ' O ' ' A' ' 44' ' ' VAL . 2.9 t -70.62 -37.68 73.86 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.568 1.167 . . . . 0.0 109.97 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . 0.401 ' SG ' ' N ' ' A' ' 36' ' ' CYS . 0.5 OUTLIER -54.05 -67.56 0.25 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.442 1.089 . . . . 0.0 108.261 -179.964 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -57.45 -17.88 15.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 109.331 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -79.19 -55.12 3.83 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.509 1.13 . . . . 0.0 111.029 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' MET . . . . . 0.431 ' HB3' ' CB ' ' A' ' 25' ' ' SER . 0.0 OUTLIER -85.46 15.7 4.31 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 0.762 . . . . 0.0 110.999 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.409 ' O ' ' SG ' ' A' ' 31' ' ' CYS . . . -90.56 25.28 2.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.297 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.407 ' O ' ' O ' ' A' ' 52' ' ' ALA . 3.0 m-20 59.41 154.06 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.309 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -95.99 -80.24 0.43 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.1 . . . . 0.0 109.976 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 6.5 t30 -107.78 -7.4 16.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 109.316 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -74.31 -20.73 60.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 109.28 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . 0.435 ' CB ' ' CD ' ' A' ' 58' ' ' PRO . 0.0 OUTLIER -81.31 175.1 5.16 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 0.0 108.316 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.435 ' CD ' ' CB ' ' A' ' 57' ' ' CYS . 18.3 Cg_endo -74.98 56.91 4.39 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.516 1.798 . . . . 0.0 111.017 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -121.12 -177.38 3.49 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.512 1.133 . . . . 0.0 109.317 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.536 1.148 . . . . 0.0 109.256 -179.998 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 1.9 t0 . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.276 -0.638 . . . . 0.0 109.276 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -109.46 -36.41 2.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.104 . . . . 0.0 109.274 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -54.2 -29.88 47.71 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.531 1.145 . . . . 0.0 110.296 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -74.42 -14.69 60.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 109.309 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.529 ' CG ' HG21 ' A' ' 44' ' ' VAL . 17.1 m-85 -118.69 18.18 13.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 111.014 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.544 ' CG ' ' HB3' ' A' ' 17' ' ' SER . 4.7 t80 -78.09 126.25 30.54 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 111.021 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.414 ' O ' ' HB2' ' A' ' 11' ' ' CYS . 56.4 p -109.08 84.02 1.85 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.111 . . . . 0.0 110.392 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 22.9 t -70.37 -4.44 22.32 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.462 1.101 . . . . 0.0 110.004 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.77 -50.29 17.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.109 . . . . 0.0 110.306 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.498 ' CG2' ' O ' ' A' ' 38' ' ' GLN . 0.0 OUTLIER -96.08 -25.62 15.82 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 0.0 110.415 179.974 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.421 ' SG ' ' CB ' ' A' ' 20' ' ' ALA . 16.8 t -63.75 136.28 96.65 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.532 1.145 . . . . 0.0 108.319 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.403 ' HD2' ' SG ' ' A' ' 11' ' ' CYS . 18.2 Cg_endo -74.97 -6.4 18.03 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.497 1.788 . . . . 0.0 111.009 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.465 ' CD1' HD23 ' A' ' 19' ' ' LEU . 68.9 m-85 -118.69 146.7 44.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.138 . . . . 0.0 111.011 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.54 35.07 2.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.105 . . . . 0.0 109.298 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . 0.556 ' O ' ' CB ' ' A' ' 16' ' ' ASP . 13.8 m-20 -126.56 63.46 1.28 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.444 1.09 . . . . 0.0 109.286 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . 0.556 ' CB ' ' O ' ' A' ' 15' ' ' ASN . 3.5 t70 86.06 145.25 0.06 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.132 . . . . 0.0 109.28 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.544 ' HB3' ' CG ' ' A' ' 6' ' ' TYR . 85.1 p -73.15 -31.83 64.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.135 . . . . 0.0 109.981 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.517 ' O ' ' CB ' ' A' ' 22' ' ' ASP . 80.9 mt-30 -63.8 -16.94 62.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 110.28 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.465 HD23 ' CD1' ' A' ' 13' ' ' TYR . 24.9 tp -73.7 -59.69 2.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.314 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.421 ' CB ' ' SG ' ' A' ' 11' ' ' CYS . . . -66.9 -26.58 66.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 109.288 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' TRP . . . . . 0.606 ' CE3' ' OG ' ' A' ' 25' ' ' SER . 5.0 t-105 -78.19 -41.96 32.94 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.122 . . . . 0.0 108.018 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.517 ' CB ' ' O ' ' A' ' 18' ' ' GLN . 3.1 t70 -64.47 -13.2 50.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.541 1.151 . . . . 0.0 109.314 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.419 HG23 ' N ' ' A' ' 24' ' ' CYS . 0.9 OUTLIER -98.85 -59.92 1.64 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 110.376 -179.974 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.533 ' SG ' ' N ' ' A' ' 25' ' ' SER . 0.4 OUTLIER -66.59 -54.1 27.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 108.309 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.606 ' OG ' ' CE3' ' A' ' 21' ' ' TRP . 0.0 OUTLIER -93.6 54.5 2.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.135 . . . . 0.0 110.059 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -134.55 -154.59 7.22 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.5 1.125 . . . . 0.0 110.99 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -94.73 -22.31 23.98 Favored Glycine 0 CA--C 1.53 0.984 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 71.0 p -134.82 -152.66 0.48 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 0.751 . . . . 0.0 110.391 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 75.08 -128.24 9.83 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.491 1.119 . . . . 0.0 111.002 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -130.3 78.78 1.86 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.554 0.797 . . . . 0.0 109.33 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.505 ' CB ' ' O ' ' A' ' 24' ' ' CYS . 21.5 p -85.1 150.08 25.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 108.375 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 162.94 179.88 37.76 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.544 1.153 . . . . 0.0 111.005 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.401 ' O ' ' SG ' ' A' ' 36' ' ' CYS . 98.9 m -85.01 -5.17 59.36 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.554 0.796 . . . . 0.0 110.43 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.439 ' O ' ' HB2' ' A' ' 38' ' ' GLN . 91.3 t -74.68 -41.1 47.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 109.272 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -63.15 -14.98 55.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 108.292 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.537 ' SG ' ' N ' ' A' ' 37' ' ' GLY . 0.7 OUTLIER -53.64 -52.75 58.9 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.114 . . . . 0.0 108.319 179.974 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.537 ' N ' ' SG ' ' A' ' 36' ' ' CYS . . . -114.88 41.39 2.18 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.505 1.128 . . . . 0.0 110.986 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.498 ' O ' ' CG2' ' A' ' 10' ' ' THR . 2.9 tp60 -120.29 -49.58 2.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.459 0.741 . . . . 0.0 110.327 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 68.9 m -112.46 -23.06 10.51 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 0.0 108.314 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.57 ' CZ ' ' HB2' ' A' ' 21' ' ' TRP . 0.8 OUTLIER -135.44 -175.12 3.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 0.0 110.991 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.5 ' O ' ' HB ' ' A' ' 44' ' ' VAL . 0.3 OUTLIER -151.48 157.08 41.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 109.992 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.627 ' CG ' ' HA ' ' A' ' 43' ' ' PRO . 0.2 OUTLIER -54.91 155.1 8.65 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.148 . . . . 0.0 110.97 -179.966 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.627 ' HA ' ' CG ' ' A' ' 42' ' ' PHE . 18.2 Cg_endo -74.96 8.28 10.1 Favored 'Cis proline' 0 C--N 1.361 1.193 0 C-N-CA 121.036 -2.485 . . . . 0.0 111.023 -0.057 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.529 HG21 ' CG ' ' A' ' 5' ' ' PHE . 2.1 t -70.97 -38.43 72.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.12 . . . . 0.0 109.319 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.54 ' HB3' ' N ' ' A' ' 42' ' ' PHE . 0.1 OUTLIER -51.18 -21.15 1.85 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.115 . . . . 0.0 110.001 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.579 ' HB2' ' CE1' ' A' ' 42' ' ' PHE . 1.1 tt0 -80.8 -29.98 35.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 110.301 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' SER . . . . . 0.436 ' N ' ' O ' ' A' ' 44' ' ' VAL . 0.5 OUTLIER -75.81 -36.34 59.76 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.494 1.122 . . . . 0.0 110.011 179.985 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -54.92 -61.0 2.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 108.259 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.88 -12.95 58.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 109.282 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -83.01 -53.84 3.37 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.467 1.104 . . . . 0.0 111.021 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 8.1 tpt -86.28 20.35 2.41 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.521 0.777 . . . . 0.0 111.027 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.413 ' O ' ' O ' ' A' ' 53' ' ' ASP . . . -88.99 40.56 0.98 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 109.321 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.501 ' OD2' ' CB ' ' A' ' 56' ' ' ASP . 37.6 t0 52.31 174.84 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.138 . . . . 0.0 109.318 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -101.96 -87.07 0.41 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 110.014 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -114.52 -8.37 12.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 109.317 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.501 ' CB ' ' OD2' ' A' ' 53' ' ' ASP . 0.4 OUTLIER -74.55 -7.32 52.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 109.31 179.967 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -75.04 165.77 51.15 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.501 1.126 . . . . 0.0 108.283 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 56.01 4.11 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.514 1.797 . . . . 0.0 110.999 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 4.4 m120 -82.98 162.12 21.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.302 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 109.344 -179.993 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 1.2 p30 . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -111.29 -35.75 2.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.099 . . . . 0.0 109.287 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -53.75 -29.69 40.91 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.521 1.138 . . . . 0.0 110.307 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -74.61 -13.63 60.67 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.506 1.128 . . . . 0.0 109.324 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.523 ' CG ' HG23 ' A' ' 44' ' ' VAL . 14.7 m-85 -119.93 20.18 12.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 110.968 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.53 ' CG ' ' HB3' ' A' ' 17' ' ' SER . 2.3 t80 -78.36 121.91 25.09 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.499 1.124 . . . . 0.0 110.987 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.413 ' O ' ' HB2' ' A' ' 11' ' ' CYS . 44.6 p -105.88 85.32 2.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 110.461 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.3 t -72.09 -2.68 19.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 109.944 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -75.8 -48.74 20.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.461 1.101 . . . . 0.0 110.317 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.499 ' CG2' ' O ' ' A' ' 38' ' ' GLN . 0.0 OUTLIER -98.81 -25.19 14.72 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.128 . . . . 0.0 110.395 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.454 ' SG ' ' HD2' ' A' ' 12' ' ' PRO . 20.2 t -63.72 137.43 97.09 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 108.299 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.478 ' HG2' ' CE2' ' A' ' 13' ' ' TYR . 18.2 Cg_endo -75.01 -3.82 14.5 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.478 1.778 . . . . 0.0 110.966 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.573 ' CD1' HD11 ' A' ' 19' ' ' LEU . 66.9 m-85 -127.72 138.73 52.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 110.966 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.83 29.99 4.38 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.514 1.134 . . . . 0.0 109.314 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -95.88 -42.27 8.4 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.45 1.094 . . . . 0.0 109.331 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -165.24 149.26 8.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.444 1.09 . . . . 0.0 109.326 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.53 ' HB3' ' CG ' ' A' ' 6' ' ' TYR . 15.8 p -69.33 -36.91 77.42 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.483 1.114 . . . . 0.0 109.998 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 3.6 mt-30 -71.52 -23.4 61.77 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 110.296 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.573 HD11 ' CD1' ' A' ' 13' ' ' TYR . 0.4 OUTLIER -64.0 -60.34 3.37 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.457 1.098 . . . . 0.0 109.295 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.42 ' N ' HD13 ' A' ' 19' ' ' LEU . . . -59.74 -34.53 73.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.551 1.157 . . . . 0.0 109.339 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' TRP . . . . . 0.581 ' HB2' ' CZ ' ' A' ' 40' ' ' PHE . 1.8 t-105 -68.97 -40.46 78.83 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 107.938 -1.134 . . . . 0.0 107.938 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -64.3 -13.42 49.83 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.139 . . . . 0.0 109.277 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -87.27 -55.09 3.96 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 110.416 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.455 ' SG ' ' N ' ' A' ' 25' ' ' SER . 0.0 OUTLIER -81.77 -68.8 0.66 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 108.318 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.549 ' OG ' ' CD2' ' A' ' 21' ' ' TRP . 0.0 OUTLIER -80.83 51.16 1.47 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 109.988 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -126.21 3.6 7.8 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.545 1.153 . . . . 0.0 110.961 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 96.97 -34.28 5.16 Favored Glycine 0 CA--C 1.531 1.033 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 71.2 p -125.9 -152.89 0.53 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 0.765 . . . . 0.0 110.366 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 68.97 -124.87 18.09 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.456 1.098 . . . . 0.0 110.969 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -119.44 58.44 0.87 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 0.774 . . . . 0.0 109.3 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.413 ' CB ' ' O ' ' A' ' 24' ' ' CYS . 1.5 p -69.26 150.81 47.0 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.502 1.126 . . . . 0.0 108.317 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 152.28 176.33 24.82 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.546 1.154 . . . . 0.0 110.996 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.402 ' O ' ' SG ' ' A' ' 36' ' ' CYS . 89.5 m -72.96 -3.45 26.03 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.494 0.761 . . . . 0.0 110.351 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.434 ' O ' ' HB2' ' A' ' 38' ' ' GLN . 60.7 t -70.09 -53.0 25.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.118 . . . . 0.0 109.29 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -62.04 -16.67 53.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 108.286 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.478 ' SG ' ' N ' ' A' ' 37' ' ' GLY . 0.3 OUTLIER -55.37 -51.27 67.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.558 1.161 . . . . 0.0 108.333 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.478 ' N ' ' SG ' ' A' ' 36' ' ' CYS . . . -116.0 42.55 1.86 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.496 1.122 . . . . 0.0 111.004 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.499 ' O ' ' CG2' ' A' ' 10' ' ' THR . 10.8 tt0 -120.91 -53.25 2.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 0.751 . . . . 0.0 110.276 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 85.3 m -111.25 -18.39 12.96 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.54 1.15 . . . . 0.0 108.273 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.581 ' CZ ' ' HB2' ' A' ' 21' ' ' TRP . 1.5 m-85 -135.87 177.53 7.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.142 . . . . 0.0 110.974 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.527 ' O ' ' HB ' ' A' ' 44' ' ' VAL . 1.0 OUTLIER -148.72 156.33 42.23 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.475 1.11 . . . . 0.0 109.961 -179.952 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.619 ' CG ' ' HA ' ' A' ' 43' ' ' PRO . 0.2 OUTLIER -53.12 154.38 5.53 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.555 1.159 . . . . 0.0 111.009 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.619 ' HA ' ' CG ' ' A' ' 42' ' ' PHE . 18.3 Cg_endo -75.0 9.95 8.97 Favored 'Cis proline' 0 C--N 1.36 1.182 0 C-N-CA 120.983 -2.507 . . . . 0.0 111.021 -0.027 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.531 ' N ' ' HA ' ' A' ' 42' ' ' PHE . 2.4 t -70.94 -39.79 75.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.138 . . . . 0.0 109.255 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.49 ' HB3' ' N ' ' A' ' 42' ' ' PHE . 0.1 OUTLIER -51.6 -19.8 1.69 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 0.0 110.035 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.577 ' HB2' ' CE1' ' A' ' 42' ' ' PHE . 0.8 OUTLIER -78.22 -31.51 49.38 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 110.31 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 3.6 m -76.64 -42.65 41.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.452 1.095 . . . . 0.0 109.975 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . 0.451 ' SG ' ' N ' ' A' ' 36' ' ' CYS . 1.2 t -54.5 -59.3 4.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 108.313 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.66 -13.49 59.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.319 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -84.66 -53.35 3.24 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.497 1.123 . . . . 0.0 111.006 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 4.0 tpp -85.63 15.41 4.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 0.765 . . . . 0.0 110.998 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.401 ' O ' ' SG ' ' A' ' 31' ' ' CYS . . . -90.68 31.41 1.05 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.452 1.095 . . . . 0.0 109.306 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 58.09 158.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 109.293 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -103.65 -72.42 0.7 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 109.999 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 5.1 t30 -116.52 -7.83 11.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.292 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -74.68 -21.54 59.35 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 109.264 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -76.32 155.73 83.88 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 108.289 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 56.05 4.14 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.539 1.81 . . . . 0.0 111.018 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 37.1 m-80 -89.65 162.76 15.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.12 . . . . 0.0 109.249 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.136 . . . . 0.0 109.254 -179.958 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 41.7 m-20 . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -92.75 -35.9 7.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 109.311 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.95 -30.65 47.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 110.296 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -74.24 -4.58 36.91 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.139 . . . . 0.0 109.285 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 14.5 m-85 -127.88 14.09 6.87 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 0.0 111.001 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.55 ' CG ' ' HB3' ' A' ' 17' ' ' SER . 4.7 t80 -78.63 129.4 34.71 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.514 1.134 . . . . 0.0 111.03 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 22.1 p -116.19 91.67 3.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 110.417 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -73.81 -2.24 22.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 109.983 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -76.47 -42.81 42.38 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 110.279 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 10.1 t -103.04 -26.44 13.06 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 110.397 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.402 ' SG ' ' HD2' ' A' ' 12' ' ' PRO . 16.1 t -63.81 136.18 96.61 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 108.283 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.402 ' HD2' ' SG ' ' A' ' 11' ' ' CYS . 18.3 Cg_endo -75.0 -21.19 16.11 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.524 1.802 . . . . 0.0 111.041 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 85.2 m-85 -103.54 178.53 4.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.141 . . . . 0.0 110.996 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.453 ' HD2' ' N ' ' A' ' 15' ' ' ASN . 0.7 OUTLIER -155.39 -155.26 0.55 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 109.265 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . 0.453 ' N ' ' HD2' ' A' ' 14' ' ' LYS . 1.4 t30 77.03 -63.14 0.38 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.547 1.154 . . . . 0.0 109.299 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -149.31 163.2 38.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 109.335 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.55 ' HB3' ' CG ' ' A' ' 6' ' ' TYR . 77.4 p -81.12 -29.2 34.87 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.111 . . . . 0.0 109.97 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 28.1 tt0 -66.01 -16.92 64.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.415 1.072 . . . . 0.0 110.333 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 26.2 tp -72.32 -64.68 0.9 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.434 1.083 . . . . 0.0 109.322 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.4 ' CB ' ' SG ' ' A' ' 11' ' ' CYS . . . -59.23 -27.26 65.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.539 1.15 . . . . 0.0 109.31 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' TRP . . . . . 0.587 ' CZ2' ' CB ' ' A' ' 51' ' ' MET . 10.2 t-105 -71.21 -40.54 71.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.13 . . . . 0.0 107.989 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -68.76 -17.04 63.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 109.297 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.416 HG21 ' N ' ' A' ' 24' ' ' CYS . 0.8 OUTLIER -75.05 -55.73 5.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 110.416 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.446 ' CB ' ' HA ' ' A' ' 31' ' ' CYS . 0.0 OUTLIER -91.09 -66.99 0.88 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 108.322 179.958 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.532 ' HB2' ' CE2' ' A' ' 21' ' ' TRP . 0.1 OUTLIER -76.98 53.43 0.94 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.127 . . . . 0.0 110.032 179.975 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -131.51 9.19 5.57 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.514 1.134 . . . . 0.0 110.975 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . 0.406 ' O ' ' SG ' ' A' ' 57' ' ' CYS . . . 97.52 -37.93 3.28 Favored Glycine 0 CA--C 1.53 0.991 0 N-CA-C 111.006 -0.837 . . . . 0.0 111.006 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 52.5 p -132.18 -163.3 1.32 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 0.773 . . . . 0.0 110.371 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 85.88 -136.32 14.16 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.509 1.13 . . . . 0.0 110.963 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 30.8 p30 -102.06 37.23 1.9 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 0.785 . . . . 0.0 109.315 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.446 ' HA ' ' CB ' ' A' ' 24' ' ' CYS . 0.6 OUTLIER -55.63 146.87 19.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.148 . . . . 0.0 108.268 -179.951 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 164.49 -176.41 40.38 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.457 1.098 . . . . 0.0 110.993 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 92.4 m -84.93 -6.25 59.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 0.765 . . . . 0.0 110.377 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.549 ' CG1' ' NE2' ' A' ' 38' ' ' GLN . 25.2 t -83.68 -33.34 9.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.507 1.13 . . . . 0.0 109.304 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -62.39 -19.94 63.93 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.542 1.151 . . . . 0.0 108.311 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.44 ' HB3' ' OG ' ' A' ' 45' ' ' SER . 59.2 m -54.23 -76.83 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.558 1.161 . . . . 0.0 108.327 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -85.24 45.99 3.6 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.481 1.113 . . . . 0.0 111.061 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.549 ' NE2' ' CG1' ' A' ' 34' ' ' VAL . 0.4 OUTLIER -120.31 -35.73 3.37 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.52 0.777 . . . . 0.0 110.25 -179.945 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 70.8 m -130.01 -43.95 1.19 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.103 . . . . 0.0 108.271 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.526 ' CZ ' ' HB2' ' A' ' 21' ' ' TRP . 0.4 OUTLIER -110.06 175.9 5.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.15 . . . . 0.0 111.005 -179.961 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.502 ' C ' ' H ' ' A' ' 45' ' ' SER . 0.7 OUTLIER -139.35 159.3 42.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 110.025 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.659 ' CD2' ' HA ' ' A' ' 43' ' ' PRO . 0.2 OUTLIER -54.13 154.22 8.19 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.138 . . . . 0.0 111.013 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.659 ' HA ' ' CD2' ' A' ' 42' ' ' PHE . 18.2 Cg_endo -75.03 6.37 11.81 Favored 'Cis proline' 0 C--N 1.361 1.187 0 C-N-CA 120.924 -2.532 . . . . 0.0 111.023 -0.029 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.48 ' HB ' ' O ' ' A' ' 41' ' ' SER . 2.2 t -70.12 -37.9 73.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.553 1.158 . . . . 0.0 109.286 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.518 ' HB3' ' N ' ' A' ' 42' ' ' PHE . 0.9 OUTLIER -52.61 -19.0 2.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 109.974 -179.959 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.6 ' HB2' ' CE1' ' A' ' 42' ' ' PHE . 0.5 OUTLIER -87.21 -24.05 24.56 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 0.0 110.287 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' SER . . . . . 0.452 ' N ' ' O ' ' A' ' 44' ' ' VAL . 8.7 m -75.52 -38.02 59.7 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.104 . . . . 0.0 110.036 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . 0.435 ' SG ' ' N ' ' A' ' 36' ' ' CYS . 0.1 OUTLIER -53.6 -63.54 1.12 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.45 1.094 . . . . 0.0 108.288 179.973 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.53 -15.15 24.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.562 1.163 . . . . 0.0 109.28 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -82.51 -53.48 3.59 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.498 1.124 . . . . 0.0 110.957 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' MET . . . . . 0.587 ' CB ' ' CZ2' ' A' ' 21' ' ' TRP . 1.7 tpt -85.3 13.19 6.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 0.762 . . . . 0.0 110.989 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.415 ' O ' ' O ' ' A' ' 53' ' ' ASP . . . -90.77 35.05 0.89 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 109.243 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.415 ' O ' ' O ' ' A' ' 52' ' ' ALA . 1.3 m-20 57.17 161.8 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 109.319 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -96.98 -78.2 0.48 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.513 1.133 . . . . 0.0 109.964 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -115.43 -7.3 12.29 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.515 1.134 . . . . 0.0 109.264 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -74.33 -16.34 60.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.427 1.079 . . . . 0.0 109.324 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . 0.406 ' SG ' ' O ' ' A' ' 27' ' ' GLY . 0.0 OUTLIER -83.18 153.17 66.1 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 108.276 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.01 55.84 4.07 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.508 1.793 . . . . 0.0 111.029 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 52.4 m-20 -95.39 163.48 13.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.311 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.486 1.116 . . . . 0.0 109.346 -179.952 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . 0.44 ' OD1' ' N ' ' A' ' 3' ' ' GLU . 59.0 t0 . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 1.5 pt -80.88 -41.53 19.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.433 1.083 . . . . 0.0 109.296 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.44 ' N ' ' OD1' ' A' ' 1' ' ' ASP . 0.0 OUTLIER -53.99 -27.03 28.99 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.141 . . . . 0.0 110.29 179.971 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -74.38 -10.11 59.26 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.47 1.107 . . . . 0.0 109.27 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 20.7 m-85 -122.14 14.82 10.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 110.996 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.565 ' CG ' ' HB2' ' A' ' 17' ' ' SER . 3.8 t80 -77.74 122.24 25.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 111.05 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.41 ' OG1' ' O ' ' A' ' 7' ' ' THR . 8.6 p -107.87 91.24 3.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 110.403 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -72.78 -3.09 23.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 110.0 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -76.34 -47.73 22.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 110.303 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.489 ' CG2' ' O ' ' A' ' 38' ' ' GLN . 0.5 OUTLIER -96.8 -25.41 15.5 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.519 1.137 . . . . 0.0 110.422 179.967 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.436 ' SG ' ' HD2' ' A' ' 12' ' ' PRO . 22.3 t -64.24 136.99 96.98 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 108.287 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.436 ' HD2' ' SG ' ' A' ' 11' ' ' CYS . 18.2 Cg_endo -75.05 -23.97 13.2 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.491 1.785 . . . . 0.0 110.994 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 64.5 m-85 -109.72 177.1 4.83 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.518 1.136 . . . . 0.0 111.009 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.436 ' HG2' ' N ' ' A' ' 15' ' ' ASN . 0.0 OUTLIER -152.05 -142.95 0.13 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.567 1.167 . . . . 0.0 109.303 -179.998 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . 0.436 ' N ' ' HG2' ' A' ' 14' ' ' LYS . 1.0 OUTLIER 73.18 -63.88 0.42 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.493 1.121 . . . . 0.0 109.303 179.965 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -149.26 156.34 41.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 109.277 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.565 ' HB2' ' CG ' ' A' ' 6' ' ' TYR . 11.4 t -75.61 -30.77 59.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.435 1.085 . . . . 0.0 109.949 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -64.64 -16.92 63.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 110.334 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 36.7 tp -73.14 -65.9 0.75 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.471 1.107 . . . . 0.0 109.3 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -59.25 -24.62 63.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.453 1.096 . . . . 0.0 109.264 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' TRP . . . . . 0.587 ' CE2' ' OG ' ' A' ' 25' ' ' SER . 7.9 t-105 -75.29 -50.03 17.33 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.504 1.127 . . . . 0.0 108.022 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.429 ' OD1' ' O ' ' A' ' 22' ' ' ASP . 46.8 t0 -63.63 -12.91 37.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 109.29 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -78.15 -54.87 5.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 110.417 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -85.36 -58.3 2.73 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.484 1.115 . . . . 0.0 108.336 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.587 ' OG ' ' CE2' ' A' ' 21' ' ' TRP . 76.8 p -76.24 51.89 0.72 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.996 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -130.19 2.7 5.88 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.555 1.16 . . . . 0.0 110.985 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 94.62 -31.17 7.04 Favored Glycine 0 CA--C 1.53 0.997 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 53.1 p -130.83 -167.49 1.84 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 0.753 . . . . 0.0 110.413 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 86.19 -128.95 9.11 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.496 1.122 . . . . 0.0 110.996 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 2.1 p30 -107.25 30.73 5.95 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.521 0.777 . . . . 0.0 109.269 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -54.81 150.49 9.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.548 1.155 . . . . 0.0 108.284 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 156.13 -170.51 33.83 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.502 1.126 . . . . 0.0 111.023 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.42 ' HA ' ' SG ' ' A' ' 36' ' ' CYS . 91.4 m -85.38 -6.3 59.24 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 0.788 . . . . 0.0 110.373 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.496 ' O ' ' HB2' ' A' ' 38' ' ' GLN . 81.6 t -82.04 -34.05 12.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.545 1.153 . . . . 0.0 109.27 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -63.48 -21.36 66.27 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.454 1.096 . . . . 0.0 108.337 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.466 ' SG ' ' CB ' ' A' ' 49' ' ' ALA . 64.4 m -54.51 -78.46 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.476 1.11 . . . . 0.0 108.27 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -85.77 49.62 4.18 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.518 1.136 . . . . 0.0 110.986 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.496 ' HB2' ' O ' ' A' ' 34' ' ' VAL . 0.8 OUTLIER -120.02 -59.74 1.76 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 0.741 . . . . 0.0 110.262 179.979 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 62.7 m -112.54 -13.99 13.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 108.32 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -134.75 174.48 10.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.125 . . . . 0.0 111.026 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.497 ' O ' ' HB ' ' A' ' 44' ' ' VAL . 3.1 m -142.53 158.03 44.11 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.552 1.158 . . . . 0.0 110.019 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.673 ' CD2' ' HA ' ' A' ' 43' ' ' PRO . 0.2 OUTLIER -54.52 154.6 8.56 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.147 . . . . 0.0 111.048 179.956 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.673 ' HA ' ' CD2' ' A' ' 42' ' ' PHE . 18.1 Cg_endo -75.05 6.88 11.47 Favored 'Cis proline' 0 C--N 1.359 1.127 0 C-N-CA 121.007 -2.497 . . . . 0.0 110.953 0.055 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.497 ' HB ' ' O ' ' A' ' 41' ' ' SER . 2.2 t -69.95 -37.88 73.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.434 1.084 . . . . 0.0 109.272 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.542 ' HB3' ' N ' ' A' ' 42' ' ' PHE . 0.2 OUTLIER -51.89 -18.07 1.19 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.11 . . . . 0.0 110.001 -179.984 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.604 ' HB2' ' CE1' ' A' ' 42' ' ' PHE . 49.2 tp60 -87.28 -29.41 21.66 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.464 1.102 . . . . 0.0 110.293 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' SER . . . . . 0.425 ' N ' ' O ' ' A' ' 44' ' ' VAL . 4.2 t -70.81 -39.0 73.33 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.476 1.11 . . . . 0.0 109.976 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . 0.418 ' SG ' ' N ' ' A' ' 36' ' ' CYS . 0.1 OUTLIER -53.62 -69.42 0.12 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 108.286 179.979 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.466 ' CB ' ' SG ' ' A' ' 36' ' ' CYS . . . -58.06 -17.64 19.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 109.284 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -76.69 -63.27 2.36 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.449 1.093 . . . . 0.0 110.995 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' MET . . . . . 0.467 ' O ' ' HG3' ' A' ' 51' ' ' MET . 29.0 tpp -74.52 -2.57 26.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 0.763 . . . . 0.0 110.938 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -81.8 50.25 1.49 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.47 1.106 . . . . 0.0 109.29 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 52.19 176.06 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 109.328 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -112.32 -73.67 0.66 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.434 1.084 . . . . 0.0 110.0 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 4.8 t-20 -117.28 -7.4 11.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 109.296 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -74.46 -32.24 62.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 0.0 109.32 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -62.29 156.82 58.48 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 108.305 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 57.08 4.46 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.434 1.755 . . . . 0.0 110.956 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 9.9 m-20 -81.69 171.43 14.6 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.492 1.12 . . . . 0.0 109.295 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 0.0 109.3 -179.984 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -84.61 -34.97 9.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.5 1.125 . . . . 0.0 109.304 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -55.15 -29.41 57.7 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 110.311 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -74.58 -3.52 31.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 109.333 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 11.6 m-85 -128.99 19.3 6.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 111.055 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.508 ' CG ' ' HB3' ' A' ' 17' ' ' SER . 3.0 t80 -78.31 116.32 18.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.099 . . . . 0.0 111.033 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.421 ' OG1' ' O ' ' A' ' 7' ' ' THR . 7.7 p -102.83 90.04 3.66 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 110.399 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 23.1 t -75.18 0.13 17.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.458 1.099 . . . . 0.0 110.017 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -77.86 -43.23 30.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 110.294 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.497 ' CG2' ' O ' ' A' ' 38' ' ' GLN . 0.1 OUTLIER -105.52 -23.46 12.79 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 110.402 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.477 ' SG ' ' HD2' ' A' ' 12' ' ' PRO . 31.0 t -64.24 138.21 97.35 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 108.308 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.558 ' HG2' ' CE2' ' A' ' 13' ' ' TYR . 18.3 Cg_endo -75.07 -14.87 20.86 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.5 1.789 . . . . 0.0 111.009 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.558 ' CE2' ' HG2' ' A' ' 12' ' ' PRO . 26.3 m-85 -112.46 145.82 39.52 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.474 1.109 . . . . 0.0 110.995 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.444 ' HD3' ' N ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -135.78 31.16 3.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 109.279 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -100.43 -45.63 5.5 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.128 . . . . 0.0 109.306 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -165.48 154.49 12.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 109.306 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.508 ' HB3' ' CG ' ' A' ' 6' ' ' TYR . 78.4 p -73.41 -34.52 65.54 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 110.016 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -72.5 -26.07 61.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 110.273 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.556 ' CD1' ' N ' ' A' ' 20' ' ' ALA . 0.3 OUTLIER -63.89 -59.91 3.93 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 109.311 -179.965 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.556 ' N ' ' CD1' ' A' ' 19' ' ' LEU . . . -59.74 -33.23 71.39 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 0.0 109.343 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' TRP . . . . . 0.574 ' CD2' ' OG ' ' A' ' 25' ' ' SER . 4.6 t-105 -67.47 -38.18 84.01 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -65.25 -12.85 55.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 0.0 109.242 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -90.13 -69.65 0.71 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 110.376 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.497 ' O ' ' CB ' ' A' ' 31' ' ' CYS . 0.0 OUTLIER -67.0 -65.01 0.73 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 108.324 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.574 ' OG ' ' CD2' ' A' ' 21' ' ' TRP . 0.0 OUTLIER -78.24 53.31 1.22 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 110.007 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -131.45 -135.14 3.7 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.466 1.104 . . . . 0.0 111.021 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -105.18 -38.58 2.44 Favored Glycine 0 CA--C 1.53 0.977 0 N-CA-C 111.04 -0.824 . . . . 0.0 111.04 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 74.8 p -137.1 -161.31 1.15 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 0.744 . . . . 0.0 110.419 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 93.51 -118.74 5.76 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.478 1.111 . . . . 0.0 110.997 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 1.1 p-10 -131.7 68.48 1.49 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.552 0.796 . . . . 0.0 109.262 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.497 ' CB ' ' O ' ' A' ' 24' ' ' CYS . 11.6 p -84.61 138.28 32.8 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.539 1.149 . . . . 0.0 108.309 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 174.54 -178.32 46.38 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.522 1.139 . . . . 0.0 110.977 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.407 ' O ' ' SG ' ' A' ' 36' ' ' CYS . 96.4 m -83.04 -4.87 58.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 0.748 . . . . 0.0 110.44 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.404 ' O ' ' HB2' ' A' ' 38' ' ' GLN . 71.9 t -74.97 -41.35 45.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.522 1.139 . . . . 0.0 109.299 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -63.79 -13.53 45.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 108.329 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.537 ' SG ' ' N ' ' A' ' 37' ' ' GLY . 0.7 OUTLIER -54.64 -52.58 61.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.117 . . . . 0.0 108.274 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.537 ' N ' ' SG ' ' A' ' 36' ' ' CYS . . . -113.84 39.14 2.92 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.491 1.12 . . . . 0.0 110.96 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.497 ' O ' ' CG2' ' A' ' 10' ' ' THR . 18.4 tp60 -120.68 -45.99 2.38 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.53 0.783 . . . . 0.0 110.282 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.61 ' HB3' ' CE1' ' A' ' 40' ' ' PHE . 0.5 OUTLIER -111.99 -26.73 8.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 108.294 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.61 ' CE1' ' HB3' ' A' ' 39' ' ' CYS . 0.6 OUTLIER -135.55 -172.83 3.18 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.534 1.146 . . . . 0.0 111.013 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.51 ' O ' ' HB ' ' A' ' 44' ' ' VAL . 0.0 OUTLIER -150.93 157.06 42.43 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 110.016 -179.957 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.639 ' CG ' ' HA ' ' A' ' 43' ' ' PRO . 0.2 OUTLIER -55.65 155.49 10.7 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 111.001 -179.991 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.639 ' HA ' ' CG ' ' A' ' 42' ' ' PHE . 18.3 Cg_endo -74.99 8.44 10.03 Favored 'Cis proline' 0 C--N 1.36 1.134 0 C-N-CA 120.997 -2.501 . . . . 0.0 111.055 -0.022 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.51 ' HB ' ' O ' ' A' ' 41' ' ' SER . 2.1 t -71.15 -38.73 72.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 109.27 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.542 ' HB3' ' N ' ' A' ' 42' ' ' PHE . 0.1 OUTLIER -51.09 -21.81 2.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.447 1.092 . . . . 0.0 109.988 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.571 ' HB2' ' CE1' ' A' ' 42' ' ' PHE . 2.1 tt0 -77.65 -31.58 52.75 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.545 1.153 . . . . 0.0 110.279 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' SER . . . . . 0.417 ' N ' ' O ' ' A' ' 44' ' ' VAL . 1.4 m -76.83 -37.58 55.4 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 0.0 109.975 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -53.94 -50.22 66.95 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.543 1.152 . . . . 0.0 108.273 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -72.31 -23.03 61.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.546 1.154 . . . . 0.0 109.297 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -74.51 -52.5 7.35 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.51 1.131 . . . . 0.0 111.034 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' MET . . . . . 0.455 ' CB ' ' CZ2' ' A' ' 21' ' ' TRP . 9.1 tpt -86.55 22.6 1.84 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 0.782 . . . . 0.0 111.042 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.411 ' O ' ' O ' ' A' ' 53' ' ' ASP . . . -86.45 43.01 1.04 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.492 1.12 . . . . 0.0 109.278 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.418 ' OD1' ' N ' ' A' ' 54' ' ' SER . 33.2 t0 54.15 170.44 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.276 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.418 ' N ' ' OD1' ' A' ' 53' ' ' ASP . 0.4 OUTLIER -101.09 -88.71 0.36 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.483 1.114 . . . . 0.0 110.045 179.942 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -116.56 -8.49 11.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.456 1.098 . . . . 0.0 109.267 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 40.5 m-20 -74.84 -3.63 33.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 109.319 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -83.06 155.55 67.3 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 108.327 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 56.14 4.14 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.49 1.784 . . . . 0.0 111.039 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 5.5 m120 -103.57 169.01 8.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.276 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.449 0 O-C-N 124.482 1.114 . . . . 0.0 109.322 179.998 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -87.47 -34.7 7.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 109.31 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -54.19 -29.24 45.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 110.317 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -74.44 -9.54 58.69 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.545 1.153 . . . . 0.0 109.331 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 20.5 m-85 -124.74 20.84 8.46 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.433 1.083 . . . . 0.0 111.011 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.455 ' CG ' ' HB3' ' A' ' 17' ' ' SER . 3.3 t80 -78.72 118.89 21.22 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.496 1.123 . . . . 0.0 110.966 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.423 ' O ' ' HB2' ' A' ' 11' ' ' CYS . 69.9 p -104.2 87.44 2.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 110.431 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 14.3 t -72.23 -2.1 17.64 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.51 1.131 . . . . 0.0 109.999 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -77.66 -49.47 14.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.458 1.099 . . . . 0.0 110.314 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.492 ' CG2' ' O ' ' A' ' 38' ' ' GLN . 0.6 OUTLIER -97.82 -23.96 15.64 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.123 . . . . 0.0 110.402 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.45 ' SG ' ' HD2' ' A' ' 12' ' ' PRO . 36.8 t -63.82 137.65 97.16 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.117 . . . . 0.0 108.305 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.45 ' HD2' ' SG ' ' A' ' 11' ' ' CYS . 18.4 Cg_endo -74.99 -8.85 20.45 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.494 1.786 . . . . 0.0 111.025 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.422 ' CD1' HD21 ' A' ' 19' ' ' LEU . 90.7 m-85 -113.46 149.4 34.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.56 1.162 . . . . 0.0 110.989 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.459 ' HD3' ' N ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -137.22 32.22 2.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 109.309 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 19.3 t-20 -102.76 -53.04 2.94 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 109.322 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -165.63 164.03 19.18 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.489 1.118 . . . . 0.0 109.289 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.455 ' HB3' ' CG ' ' A' ' 6' ' ' TYR . 58.7 p -77.83 -27.47 49.97 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.464 1.102 . . . . 0.0 110.007 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.436 ' O ' ' N ' ' A' ' 22' ' ' ASP . 52.7 mt-30 -73.59 -29.86 62.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.446 1.091 . . . . 0.0 110.298 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.422 HD21 ' CD1' ' A' ' 13' ' ' TYR . 7.3 tp -64.35 -65.53 0.66 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 0.0 109.341 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.557 ' CB ' ' SG ' ' A' ' 39' ' ' CYS . . . -55.63 -35.08 65.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 109.33 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' TRP . . . . . 0.605 ' CE3' ' OG ' ' A' ' 25' ' ' SER . 12.0 t-105 -69.8 -37.87 76.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.135 . . . . 0.0 108.013 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.436 ' N ' ' O ' ' A' ' 18' ' ' GLN . 7.7 t70 -70.14 -11.92 61.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.438 1.087 . . . . 0.0 109.297 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.41 HG23 ' N ' ' A' ' 24' ' ' CYS . 1.0 OUTLIER -88.18 -68.63 0.75 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 110.38 -179.987 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.41 ' N ' HG23 ' A' ' 23' ' ' THR . 0.0 OUTLIER -73.17 -58.89 2.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 108.253 -179.973 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.605 ' OG ' ' CE3' ' A' ' 21' ' ' TRP . 0.0 OUTLIER -77.46 52.99 1.01 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.509 1.131 . . . . 0.0 110.027 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -133.81 -125.85 2.62 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.475 1.11 . . . . 0.0 110.942 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . 0.412 ' O ' ' SG ' ' A' ' 57' ' ' CYS . . . -105.97 -55.43 0.69 Allowed Glycine 0 CA--C 1.53 1.01 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 59.7 p -130.62 -152.83 0.53 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 0.766 . . . . 0.0 110.351 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 93.42 -110.77 4.01 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.518 1.136 . . . . 0.0 110.99 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -128.08 48.33 2.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 0.766 . . . . 0.0 109.279 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.406 ' SG ' ' O ' ' A' ' 52' ' ' ALA . 5.0 p -69.07 124.92 25.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 0.0 108.256 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -170.35 176.75 43.88 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.46 1.1 . . . . 0.0 111.033 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.431 ' O ' ' SG ' ' A' ' 36' ' ' CYS . 81.2 m -85.63 -3.07 58.78 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 0.748 . . . . 0.0 110.4 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.485 ' O ' ' HB2' ' A' ' 38' ' ' GLN . 81.3 t -81.17 -35.77 14.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 109.276 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -63.36 -12.62 31.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 108.305 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.458 ' SG ' ' O ' ' A' ' 45' ' ' SER . 79.2 m -54.17 -79.82 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 108.295 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -86.8 42.5 3.16 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.556 1.16 . . . . 0.0 111.034 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.492 ' O ' ' CG2' ' A' ' 10' ' ' THR . 5.9 tp60 -123.2 -46.05 2.08 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 0.745 . . . . 0.0 110.314 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.621 ' HB3' ' CE1' ' A' ' 40' ' ' PHE . 0.5 OUTLIER -110.69 -27.13 9.05 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.491 1.119 . . . . 0.0 108.314 180.0 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.621 ' CE1' ' HB3' ' A' ' 39' ' ' CYS . 0.6 OUTLIER -135.15 -177.89 4.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 110.987 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.5 ' O ' ' HB ' ' A' ' 44' ' ' VAL . 3.1 m -141.28 156.58 45.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 109.981 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.626 ' CD2' ' HA ' ' A' ' 43' ' ' PRO . 0.2 OUTLIER -54.67 154.57 8.95 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 110.98 179.998 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.626 ' HA ' ' CD2' ' A' ' 42' ' ' PHE . 18.3 Cg_endo -74.99 8.15 10.25 Favored 'Cis proline' 0 C--N 1.36 1.151 0 C-N-CA 121.05 -2.479 . . . . 0.0 110.988 0.009 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.5 ' HB ' ' O ' ' A' ' 41' ' ' SER . 2.1 t -71.29 -37.9 67.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.31 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.55 ' HB3' ' N ' ' A' ' 42' ' ' PHE . 0.2 OUTLIER -52.87 -18.34 1.87 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.553 1.158 . . . . 0.0 109.977 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.585 ' HB2' ' CE1' ' A' ' 42' ' ' PHE . 1.8 tt0 -88.15 -23.68 23.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 110.292 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -76.02 -38.5 57.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 110.008 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 1.6 t -53.14 -65.39 0.57 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 108.32 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.4 ' HB2' ' SG ' ' A' ' 36' ' ' CYS . . . -56.77 -18.47 12.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.253 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -81.49 -57.67 2.71 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.481 1.113 . . . . 0.0 111.041 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -86.14 19.91 2.5 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.493 0.761 . . . . 0.0 111.03 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.441 ' O ' ' O ' ' A' ' 53' ' ' ASP . . . -86.25 15.81 4.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.549 1.156 . . . . 0.0 109.294 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.489 ' OD2' ' CB ' ' A' ' 56' ' ' ASP . 0.3 OUTLIER 60.65 139.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 109.335 -179.975 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -109.1 -83.23 0.56 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.104 . . . . 0.0 110.013 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -84.26 -7.26 59.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 109.302 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.489 ' CB ' ' OD2' ' A' ' 53' ' ' ASP . 29.0 m-20 -93.25 -14.19 27.33 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.517 1.136 . . . . 0.0 109.244 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . 0.453 ' CB ' ' HB3' ' A' ' 53' ' ' ASP . 0.0 OUTLIER -83.77 163.57 48.44 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 0.0 108.266 -179.966 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 55.85 4.1 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.505 1.792 . . . . 0.0 110.968 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 5.8 m-20 -101.46 170.82 7.96 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.307 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.538 1.149 . . . . 0.0 109.29 -179.98 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.295 -0.632 . . . . 0.0 109.295 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . 0.425 HG13 ' OG ' ' A' ' 17' ' ' SER . 0.6 OUTLIER -78.66 -43.8 25.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.117 . . . . 0.0 109.26 -179.93 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -53.18 -24.74 11.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 110.278 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -75.56 -1.52 24.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.336 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.451 ' CG ' HG23 ' A' ' 44' ' ' VAL . 22.4 m-85 -135.36 21.19 3.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 110.988 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.542 ' CG ' ' HB2' ' A' ' 17' ' ' SER . 2.5 t80 -78.21 117.6 19.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 111.017 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.403 ' O ' ' HB2' ' A' ' 11' ' ' CYS . 9.5 p -104.08 90.4 3.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.147 . . . . 0.0 110.454 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 7.0 t -75.0 -0.31 18.39 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 110.015 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -77.65 -48.91 15.66 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.446 1.091 . . . . 0.0 110.296 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.417 ' CG2' ' O ' ' A' ' 38' ' ' GLN . 0.4 OUTLIER -98.93 -24.44 14.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.139 . . . . 0.0 110.416 179.964 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.453 ' SG ' ' HD2' ' A' ' 12' ' ' PRO . 38.2 t -64.4 137.58 97.17 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 0.0 108.308 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.453 ' HD2' ' SG ' ' A' ' 11' ' ' CYS . 18.4 Cg_endo -74.9 -3.29 13.69 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.459 1.768 . . . . 0.0 111.043 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 94.9 m-85 -117.55 152.39 35.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.559 1.162 . . . . 0.0 111.037 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.431 ' HD3' ' N ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -145.14 31.4 1.12 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 109.332 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -107.3 -47.72 3.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.249 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -165.31 150.37 9.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 109.318 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.542 ' HB2' ' CG ' ' A' ' 6' ' ' TYR . 12.3 t -68.45 -35.34 77.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.992 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.417 ' O ' ' N ' ' A' ' 22' ' ' ASP . 3.1 tt0 -64.88 -35.55 81.49 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 110.257 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 18.6 tp -57.46 -63.14 1.33 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 109.308 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.547 ' CB ' ' SG ' ' A' ' 39' ' ' CYS . . . -56.25 -37.49 69.85 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.547 1.154 . . . . 0.0 109.283 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' TRP . . . . . 0.544 ' CE2' ' HB2' ' A' ' 25' ' ' SER . 6.8 t-105 -64.65 -38.99 92.87 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 107.962 -1.125 . . . . 0.0 107.962 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.417 ' N ' ' O ' ' A' ' 18' ' ' GLN . 1.4 t0 -68.29 -12.52 61.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 109.311 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.409 ' O ' ' O ' ' A' ' 28' ' ' THR . 0.7 OUTLIER -88.81 -50.27 6.32 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.117 . . . . 0.0 110.412 179.971 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.486 ' O ' ' CB ' ' A' ' 31' ' ' CYS . 0.0 OUTLIER -86.7 -72.51 0.5 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 108.341 179.963 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.544 ' HB2' ' CE2' ' A' ' 21' ' ' TRP . 0.0 OUTLIER -80.09 51.53 1.39 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 0.0 110.01 179.975 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -125.6 6.17 7.99 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.503 1.127 . . . . 0.0 111.005 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . 0.406 ' O ' ' SG ' ' A' ' 57' ' ' CYS . . . 98.05 -31.73 7.64 Favored Glycine 0 CA--C 1.531 1.047 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.409 ' O ' ' O ' ' A' ' 23' ' ' THR . 69.4 p -132.16 -149.18 0.37 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.537 0.786 . . . . 0.0 110.412 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 70.3 -138.63 29.49 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.481 1.113 . . . . 0.0 111.006 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 18.8 p30 -102.84 41.3 1.26 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 0.776 . . . . 0.0 109.312 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.486 ' CB ' ' O ' ' A' ' 24' ' ' CYS . 1.0 OUTLIER -57.99 145.64 35.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.141 . . . . 0.0 108.317 179.975 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 170.24 -178.34 43.05 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.543 1.152 . . . . 0.0 110.958 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.471 ' HA ' ' SG ' ' A' ' 36' ' ' CYS . 88.9 m -85.44 -5.16 59.32 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.496 0.762 . . . . 0.0 110.441 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.472 ' O ' ' HB2' ' A' ' 38' ' ' GLN . 97.8 t -81.89 -38.31 15.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.54 1.15 . . . . 0.0 109.271 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -62.02 -14.98 40.91 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.478 1.111 . . . . 0.0 108.324 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.477 ' HB3' ' OG ' ' A' ' 45' ' ' SER . 72.7 m -55.04 -57.52 11.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.117 . . . . 0.0 108.312 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -109.23 42.5 1.94 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.528 1.143 . . . . 0.0 110.983 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.472 ' HB2' ' O ' ' A' ' 34' ' ' VAL . 2.7 tt0 -122.19 -48.54 2.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 0.776 . . . . 0.0 110.264 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.566 ' HB3' ' CE1' ' A' ' 40' ' ' PHE . 0.5 OUTLIER -109.85 -24.4 10.87 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.551 1.157 . . . . 0.0 108.286 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.566 ' CE1' ' HB3' ' A' ' 39' ' ' CYS . 1.0 OUTLIER -135.73 -178.66 5.23 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.511 1.132 . . . . 0.0 111.034 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.502 ' O ' ' HB ' ' A' ' 44' ' ' VAL . 1.0 OUTLIER -144.74 157.4 44.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 110.005 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.642 ' CD2' ' HA ' ' A' ' 43' ' ' PRO . 0.2 OUTLIER -54.4 153.83 9.45 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.532 1.145 . . . . 0.0 111.021 -179.992 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.642 ' HA ' ' CD2' ' A' ' 42' ' ' PHE . 18.3 Cg_endo -75.0 7.4 10.88 Favored 'Cis proline' 0 C--N 1.36 1.142 0 C-N-CA 121.069 -2.471 . . . . 0.0 110.971 0.046 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.502 ' HB ' ' O ' ' A' ' 41' ' ' SER . 2.1 t -70.78 -36.89 66.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.311 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.558 ' HB3' ' N ' ' A' ' 42' ' ' PHE . 0.1 OUTLIER -51.75 -18.53 1.27 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.129 . . . . 0.0 110.019 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.594 ' HB2' ' CE1' ' A' ' 42' ' ' PHE . 11.1 tp60 -87.66 -28.1 22.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 110.325 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' SER . . . . . 0.44 ' N ' ' O ' ' A' ' 44' ' ' VAL . 12.9 m -71.57 -39.33 70.67 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.516 1.135 . . . . 0.0 110.044 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 1.1 t -53.09 -70.01 0.1 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.145 . . . . 0.0 108.32 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.433 ' CB ' ' SG ' ' A' ' 36' ' ' CYS . . . -55.24 -20.2 10.3 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 109.278 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -75.53 -56.46 4.61 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.481 1.113 . . . . 0.0 111.044 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' MET . . . . . 0.465 ' HB3' ' CZ2' ' A' ' 21' ' ' TRP . 1.3 tpp -85.22 15.05 4.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.456 0.739 . . . . 0.0 111.016 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -91.24 31.36 1.13 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 109.305 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 59.9 163.34 0.05 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.462 1.101 . . . . 0.0 109.292 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -98.42 -77.14 0.52 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 110.0 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -114.42 -6.77 12.89 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.485 1.116 . . . . 0.0 109.326 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -74.11 -26.83 60.57 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.501 1.126 . . . . 0.0 109.3 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . 0.406 ' SG ' ' O ' ' A' ' 27' ' ' GLY . 0.0 OUTLIER -74.88 162.85 71.8 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 108.31 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 56.12 4.13 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.509 1.794 . . . . 0.0 110.978 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 37.9 m-20 -99.31 151.6 20.87 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 109.283 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.104 . . . . 0.0 109.349 -180.0 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -54.45 -32.09 56.9 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 110.282 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -74.21 -12.07 60.47 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.45 1.094 . . . . 0.0 109.269 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' PHE . . . . . 0.745 ' CG ' HG21 ' A' ' 44' ' ' VAL . 16.7 m-85 -121.12 15.69 11.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.133 . . . . 0.0 111.003 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 6' ' ' TYR . . . . . 0.536 ' CG ' ' HB3' ' A' ' 17' ' ' SER . 5.9 t80 -77.93 136.6 38.04 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.128 . . . . 0.0 111.025 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 9.9 p -117.76 87.98 2.82 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.546 1.154 . . . . 0.0 110.402 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 27.9 t -72.65 -3.18 23.36 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.465 1.103 . . . . 0.0 110.035 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -74.83 -44.62 48.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.143 . . . . 0.0 110.33 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.883 HG23 ' O ' ' A' ' 38' ' ' GLN . 0.1 OUTLIER -103.35 -25.33 13.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.561 1.163 . . . . 0.0 110.392 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.449 ' SG ' ' CB ' ' A' ' 20' ' ' ALA . 21.7 t -64.34 136.39 96.74 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 108.315 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.41 ' HD2' ' SG ' ' A' ' 11' ' ' CYS . 18.2 Cg_endo -75.03 -5.48 16.84 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.476 1.777 . . . . 0.0 110.98 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 86.4 m-85 -115.62 130.67 56.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 110.973 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.53 31.41 6.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 109.335 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 4.6 t30 -101.12 -54.83 2.7 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.472 1.108 . . . . 0.0 109.294 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -165.17 158.98 17.1 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.471 1.107 . . . . 0.0 109.302 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.536 ' HB3' ' CG ' ' A' ' 6' ' ' TYR . 58.4 p -71.38 -30.77 66.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.564 1.165 . . . . 0.0 110.038 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.434 ' O ' ' N ' ' A' ' 22' ' ' ASP . 45.4 mt-30 -67.04 -27.31 67.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 110.261 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 51.7 tp -67.6 -65.17 0.72 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 109.308 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.449 ' CB ' ' SG ' ' A' ' 11' ' ' CYS . . . -55.75 -34.26 65.03 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 0.0 109.27 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' TRP . . . . . 0.557 ' HB2' ' CZ ' ' A' ' 40' ' ' PHE . 5.2 t-105 -72.2 -40.05 68.15 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 107.988 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.434 ' N ' ' O ' ' A' ' 18' ' ' GLN . 8.8 m-20 -64.97 -14.34 59.9 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.104 . . . . 0.0 109.273 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.513 HG22 ' N ' ' A' ' 24' ' ' CYS . 0.8 OUTLIER -89.02 -65.66 1.0 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 110.4 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.513 ' N ' HG22 ' A' ' 23' ' ' THR . 0.0 OUTLIER -65.1 -68.38 0.37 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.452 1.095 . . . . 0.0 108.301 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.432 ' O ' ' SD ' ' A' ' 51' ' ' MET . 0.0 OUTLIER -80.52 52.41 1.64 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 110.05 179.969 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.964 0 O-C-N 124.513 1.133 . . . . 0.0 111.055 179.958 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.42 ' HB2' ' HB1' ' A' ' 52' ' ' ALA . 0.8 OUTLIER -73.71 154.0 39.83 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 108.323 179.971 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 158.78 -176.04 35.71 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.52 1.137 . . . . 0.0 110.975 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.424 ' HA ' ' HB2' ' A' ' 49' ' ' ALA . 90.7 m -84.52 -4.52 59.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 0.771 . . . . 0.0 110.434 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.446 ' O ' ' HB2' ' A' ' 38' ' ' GLN . 59.6 t -73.89 -44.04 51.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.113 . . . . 0.0 109.286 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.404 ' C ' ' SG ' ' A' ' 48' ' ' CYS . 0.0 OUTLIER -63.02 -14.76 51.89 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 108.325 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.535 ' SG ' ' N ' ' A' ' 37' ' ' GLY . 0.5 OUTLIER -56.03 -52.54 63.88 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.534 1.146 . . . . 0.0 108.298 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.535 ' N ' ' SG ' ' A' ' 36' ' ' CYS . . . -113.64 41.04 2.31 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.49 1.119 . . . . 0.0 111.034 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.883 ' O ' HG23 ' A' ' 10' ' ' THR . 0.7 OUTLIER -118.45 -53.28 2.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 0.763 . . . . 0.0 110.335 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.426 ' SG ' ' HB1' ' A' ' 20' ' ' ALA . 75.3 m -109.79 -21.94 12.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 108.287 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.557 ' CZ ' ' HB2' ' A' ' 21' ' ' TRP . 1.1 m-85 -135.39 -175.52 3.96 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 111.056 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.506 ' O ' ' HB ' ' A' ' 44' ' ' VAL . 2.1 m -152.65 156.67 39.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.993 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.746 ' CD2' ' HA ' ' A' ' 43' ' ' PRO . 0.2 OUTLIER -53.53 154.07 6.89 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.11 . . . . 0.0 110.996 179.969 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.746 ' HA ' ' CD2' ' A' ' 42' ' ' PHE . 18.2 Cg_endo -75.07 8.02 10.6 Favored 'Cis proline' 0 C--N 1.36 1.178 0 C-N-CA 121.004 -2.499 . . . . 0.0 110.979 0.061 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.745 HG21 ' CG ' ' A' ' 5' ' ' PHE . 2.2 t -70.53 -39.15 75.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.122 . . . . 0.0 109.307 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.492 ' H ' ' C ' ' A' ' 41' ' ' SER . 0.4 OUTLIER -51.4 -21.61 2.42 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.105 . . . . 0.0 110.011 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.583 ' HB2' ' CE1' ' A' ' 42' ' ' PHE . 23.9 tp60 -77.98 -31.51 50.8 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.437 1.085 . . . . 0.0 110.314 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' SER . . . . . 0.418 ' N ' ' O ' ' A' ' 44' ' ' VAL . 1.5 m -75.9 -38.33 57.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.127 . . . . 0.0 109.982 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' CYS . . . . . 0.472 ' O ' ' HB2' ' A' ' 52' ' ' ALA . 0.1 OUTLIER -59.14 -55.14 38.79 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.491 1.119 . . . . 0.0 108.268 -179.951 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.424 ' HB2' ' HA ' ' A' ' 33' ' ' THR . . . -73.78 -4.71 36.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 109.268 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -93.75 -50.93 2.22 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.498 1.124 . . . . 0.0 110.971 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' MET . . . . . 0.453 ' SD ' ' CZ2' ' A' ' 21' ' ' TRP . 0.3 OUTLIER -85.76 14.64 5.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 0.754 . . . . 0.0 110.999 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.472 ' HB2' ' O ' ' A' ' 48' ' ' CYS . . . . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 109.326 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.349 -0.611 . . . . 0.0 109.349 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.98 -29.77 44.31 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.515 1.134 . . . . 0.0 110.269 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -74.58 -5.97 45.9 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.475 1.109 . . . . 0.0 109.272 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 5' ' ' PHE . . . . . 0.534 ' CG ' HG21 ' A' ' 44' ' ' VAL . 17.7 m-85 -126.61 15.58 7.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 111.014 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -77.78 106.53 9.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.142 . . . . 0.0 111.032 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 8.9 p -92.15 87.13 6.0 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.139 . . . . 0.0 110.425 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 31.3 t -70.76 -5.2 28.26 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 110.02 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.12 -49.67 34.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.577 1.173 . . . . 0.0 110.305 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.906 HG23 ' O ' ' A' ' 38' ' ' GLN . 0.1 OUTLIER -96.79 -26.4 15.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 110.383 -179.961 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.414 ' SG ' ' HD2' ' A' ' 12' ' ' PRO . 11.3 t -64.49 136.6 96.83 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.13 . . . . 0.0 108.321 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.414 ' HD2' ' SG ' ' A' ' 11' ' ' CYS . 18.3 Cg_endo -75.07 -8.54 20.08 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.554 1.818 . . . . 0.0 111.01 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 95.8 m-85 -110.62 142.64 42.2 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 110.974 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.426 ' HD3' ' N ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -134.69 28.57 3.59 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 1.109 . . . . 0.0 109.309 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 12.9 t30 -100.71 -54.4 2.84 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 109.312 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -163.01 152.01 14.78 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.486 1.116 . . . . 0.0 109.301 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 79.3 p -66.48 -34.56 78.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 110.054 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 45.1 tt0 -65.68 -22.08 66.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 110.271 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 57.7 tp -71.72 -62.14 1.53 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 109.281 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.412 ' CB ' ' SG ' ' A' ' 11' ' ' CYS . . . -57.86 -33.36 68.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 109.299 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' TRP . . . . . 0.527 ' CE2' ' HB2' ' A' ' 25' ' ' SER . 4.8 t-105 -71.94 -38.42 69.82 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.14 . . . . 0.0 108.006 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -64.93 -12.11 45.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 109.265 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.471 HG22 ' N ' ' A' ' 24' ' ' CYS . 0.8 OUTLIER -89.49 -62.98 1.35 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 0.0 110.37 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.471 ' N ' HG22 ' A' ' 23' ' ' THR . 0.0 OUTLIER -73.36 -71.61 0.3 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 0.0 108.314 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.527 ' HB2' ' CE2' ' A' ' 21' ' ' TRP . 0.1 OUTLIER -80.54 52.68 1.7 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 110.0 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.969 0 O-C-N 124.46 1.1 . . . . 0.0 111.027 179.972 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ASN . . . . . 0.402 ' OD1' ' CG2' ' A' ' 23' ' ' THR . 13.4 p30 . . . . . 0 N--CA 1.454 -0.268 0 N-CA-C 109.295 -0.632 . . . . 0.0 109.295 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 1.8 p -70.71 147.47 49.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 108.265 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 166.92 -177.83 41.46 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.51 1.131 . . . . 0.0 111.013 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.413 ' O ' ' SG ' ' A' ' 36' ' ' CYS . 41.0 m -84.6 -4.26 58.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 0.784 . . . . 0.0 110.404 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.438 ' O ' ' HB2' ' A' ' 38' ' ' GLN . 93.6 t -73.76 -42.92 54.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.249 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -62.73 -15.29 52.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.449 1.093 . . . . 0.0 108.262 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.542 ' SG ' ' N ' ' A' ' 37' ' ' GLY . 0.5 OUTLIER -55.23 -53.16 59.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 108.269 -179.954 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.542 ' N ' ' SG ' ' A' ' 36' ' ' CYS . . . -113.96 43.25 1.74 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.48 1.113 . . . . 0.0 111.033 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.906 ' O ' HG23 ' A' ' 10' ' ' THR . 2.3 tt0 -120.3 -52.11 2.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 0.752 . . . . 0.0 110.241 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 88.9 m -111.76 -20.94 11.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 108.339 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.52 ' CZ ' ' HB2' ' A' ' 21' ' ' TRP . 1.1 m-85 -135.76 -178.61 5.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.103 . . . . 0.0 111.05 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.513 ' O ' ' HB ' ' A' ' 44' ' ' VAL . 0.0 OUTLIER -149.63 157.02 42.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 110.039 179.961 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.735 ' CD2' ' HA ' ' A' ' 43' ' ' PRO . 0.2 OUTLIER -54.01 154.31 7.77 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.54 1.15 . . . . 0.0 110.966 -179.968 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.735 ' HA ' ' CD2' ' A' ' 42' ' ' PHE . 18.4 Cg_endo -74.93 8.29 10.03 Favored 'Cis proline' 0 C--N 1.36 1.152 0 C-N-CA 121.033 -2.486 . . . . 0.0 111.012 -0.061 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.534 HG21 ' CG ' ' A' ' 5' ' ' PHE . 2.2 t -70.68 -39.35 75.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.444 1.09 . . . . 0.0 109.308 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.494 ' H ' ' C ' ' A' ' 41' ' ' SER . 0.6 OUTLIER -52.03 -25.34 8.29 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.492 1.12 . . . . 0.0 110.019 179.976 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.561 ' HB2' ' CE1' ' A' ' 42' ' ' PHE . 16.8 tt0 -74.91 -30.41 61.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 110.267 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.4 m -76.14 -39.94 53.84 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.532 1.145 . . . . 0.0 110.014 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' CYS . . . . . 0.525 ' O ' ' HB2' ' A' ' 52' ' ' ALA . 0.4 OUTLIER -54.01 -60.21 3.63 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.552 1.158 . . . . 0.0 108.304 179.964 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.54 -15.97 61.83 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.113 . . . . 0.0 109.294 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -81.19 -54.44 3.56 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.548 1.155 . . . . 0.0 111.012 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' MET . . . . . 0.402 ' HB3' ' CB ' ' A' ' 25' ' ' SER . 1.0 OUTLIER -85.48 15.0 4.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 0.771 . . . . 0.0 110.975 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.525 ' HB2' ' O ' ' A' ' 48' ' ' CYS . . . . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.543 1.152 . . . . 0.0 109.286 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.271 -0.641 . . . . 0.0 109.271 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.08 -31.87 53.08 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 110.266 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 22.6 m-20 -74.31 -4.25 35.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 109.334 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' PHE . . . . . 0.655 ' CG ' HG21 ' A' ' 44' ' ' VAL . 11.7 m-85 -128.84 17.93 6.21 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 110.971 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 6' ' ' TYR . . . . . 0.52 ' CG ' ' HB3' ' A' ' 17' ' ' SER . 2.5 t80 -78.46 118.18 20.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.098 . . . . 0.0 110.984 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.403 ' O ' ' HB2' ' A' ' 11' ' ' CYS . 65.4 p -103.41 83.54 2.19 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.109 . . . . 0.0 110.424 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.4 t -65.3 -10.03 29.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 109.997 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -69.8 -57.96 4.46 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.547 1.154 . . . . 0.0 110.295 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.919 HG23 ' O ' ' A' ' 38' ' ' GLN . 0.2 OUTLIER -85.35 -29.35 24.54 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.48 1.113 . . . . 0.0 110.364 -179.968 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.456 ' SG ' ' CB ' ' A' ' 20' ' ' ALA . 6.7 t -64.22 137.27 97.07 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 108.252 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.558 ' HG2' ' CE2' ' A' ' 13' ' ' TYR . 18.3 Cg_endo -75.0 -12.07 21.49 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.489 1.784 . . . . 0.0 111.04 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.617 ' CD1' HD11 ' A' ' 19' ' ' LEU . 50.6 m-85 -117.02 139.1 51.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.118 . . . . 0.0 110.966 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.96 32.03 4.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.288 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 4.8 t-20 -98.0 -42.85 7.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 109.302 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -165.24 151.33 9.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.566 1.166 . . . . 0.0 109.295 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.52 ' HB3' ' CG ' ' A' ' 6' ' ' TYR . 37.6 p -70.81 -35.53 72.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 110.034 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 96.0 mt-30 -72.89 -23.64 60.74 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 110.284 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.753 HD13 ' N ' ' A' ' 20' ' ' ALA . 0.4 OUTLIER -64.33 -59.55 4.24 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.525 1.141 . . . . 0.0 109.333 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.753 ' N ' HD13 ' A' ' 19' ' ' LEU . . . -59.93 -34.62 73.47 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.474 1.109 . . . . 0.0 109.302 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' TRP . . . . . 0.543 ' HB2' ' CZ ' ' A' ' 40' ' ' PHE . 2.7 t-105 -67.37 -40.56 85.74 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 107.998 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -64.46 -13.56 52.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.31 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -89.05 -50.52 6.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 110.361 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.506 ' O ' ' CB ' ' A' ' 31' ' ' CYS . 0.0 OUTLIER -83.99 -70.97 0.53 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.507 1.13 . . . . 0.0 108.276 -179.972 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.512 ' HB2' ' CE2' ' A' ' 21' ' ' TRP . 0.0 OUTLIER -79.92 52.1 1.44 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 109.98 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 O-C-N 124.556 1.16 . . . . 0.0 110.982 179.952 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 26.9 p30 . . . . . 0 N--CA 1.452 -0.349 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.506 ' CB ' ' O ' ' A' ' 24' ' ' CYS . 12.8 p -63.06 130.97 46.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 108.312 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 175.14 -175.89 47.16 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.531 1.144 . . . . 0.0 110.992 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.547 ' HA ' ' HB2' ' A' ' 49' ' ' ALA . 95.7 m -84.5 -4.94 59.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 0.767 . . . . 0.0 110.392 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.427 ' O ' ' HB2' ' A' ' 38' ' ' GLN . 53.1 t -74.52 -41.4 49.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.52 1.138 . . . . 0.0 109.289 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.413 ' C ' ' SG ' ' A' ' 48' ' ' CYS . 0.0 OUTLIER -62.91 -14.75 50.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.135 . . . . 0.0 108.267 -179.981 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.533 ' SG ' ' N ' ' A' ' 37' ' ' GLY . 0.6 OUTLIER -54.34 -52.7 60.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 108.29 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.533 ' N ' ' SG ' ' A' ' 36' ' ' CYS . . . -113.98 40.32 2.53 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.492 1.12 . . . . 0.0 110.969 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.919 ' O ' HG23 ' A' ' 10' ' ' THR . 5.5 tp60 -120.74 -45.07 2.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 0.757 . . . . 0.0 110.322 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.428 ' SG ' ' HB1' ' A' ' 20' ' ' ALA . 55.4 m -114.16 -26.0 8.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 108.264 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.543 ' CZ ' ' HB2' ' A' ' 21' ' ' TRP . 0.4 OUTLIER -135.43 -173.02 3.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.465 1.103 . . . . 0.0 111.014 -179.968 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.494 ' O ' ' HB ' ' A' ' 44' ' ' VAL . 2.3 m -151.29 157.26 42.32 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.537 1.148 . . . . 0.0 110.042 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.714 ' CG ' ' HA ' ' A' ' 43' ' ' PRO . 0.1 OUTLIER -55.43 155.79 9.41 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 110.982 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.714 ' HA ' ' CG ' ' A' ' 42' ' ' PHE . 18.5 Cg_endo -74.97 8.74 9.73 Favored 'Cis proline' 0 C--N 1.36 1.149 0 C-N-CA 121.025 -2.489 . . . . 0.0 111.037 -0.063 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.655 HG21 ' CG ' ' A' ' 5' ' ' PHE . 2.1 t -71.53 -39.07 70.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.435 1.084 . . . . 0.0 109.303 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.542 ' HB3' ' N ' ' A' ' 42' ' ' PHE . 0.1 OUTLIER -51.22 -22.77 2.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 0.0 110.053 179.969 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.565 ' HB2' ' CE1' ' A' ' 42' ' ' PHE . 6.1 tt0 -76.04 -31.94 59.09 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.518 1.137 . . . . 0.0 110.283 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.5 m -76.25 -36.53 58.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.151 . . . . 0.0 109.985 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' CYS . . . . . 0.413 ' SG ' ' C ' ' A' ' 35' ' ' CYS . 0.1 OUTLIER -60.14 -52.92 63.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 108.313 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.547 ' HB2' ' HA ' ' A' ' 33' ' ' THR . . . -77.22 -0.04 23.71 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.437 1.086 . . . . 0.0 109.301 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -99.89 -47.07 1.81 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.467 1.104 . . . . 0.0 110.987 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' MET . . . . . 0.52 ' CB ' ' CZ2' ' A' ' 21' ' ' TRP . 1.0 OUTLIER -85.83 10.88 12.47 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 0.768 . . . . 0.0 111.042 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 109.325 179.957 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 3' ' ' GLU . . . . . 0.422 ' HG2' ' N ' ' A' ' 4' ' ' ASP . 4.2 pm0 -54.41 -31.21 54.62 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.458 1.099 . . . . 0.0 110.364 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 4' ' ' ASP . . . . . 0.422 ' N ' ' HG2' ' A' ' 3' ' ' GLU . 0.2 OUTLIER -74.53 -13.23 60.65 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.52 1.138 . . . . 0.0 109.335 179.963 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 5' ' ' PHE . . . . . 0.705 ' CG ' HG21 ' A' ' 44' ' ' VAL . 23.7 m-85 -119.85 15.85 12.61 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.497 1.123 . . . . 0.0 110.953 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 6' ' ' TYR . . . . . 0.53 ' CG ' ' HB3' ' A' ' 17' ' ' SER . 5.4 t80 -77.72 132.41 38.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.137 . . . . 0.0 110.999 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.407 ' O ' ' HB2' ' A' ' 11' ' ' CYS . 42.8 p -114.47 86.38 2.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.453 1.096 . . . . 0.0 110.409 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 29.0 t -71.58 -3.63 22.51 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.509 1.131 . . . . 0.0 109.991 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.87 -54.63 6.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 110.334 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.843 HG23 ' O ' ' A' ' 38' ' ' GLN . 0.7 OUTLIER -92.39 -26.17 18.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.138 . . . . 0.0 110.387 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.457 ' SG ' ' CB ' ' A' ' 20' ' ' ALA . 35.3 t -64.17 136.44 96.75 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.544 1.152 . . . . 0.0 108.281 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.401 ' HD2' ' SG ' ' A' ' 11' ' ' CYS . 18.3 Cg_endo -74.98 -1.99 11.94 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.473 1.775 . . . . 0.0 111.016 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 94.2 m-85 -118.15 131.64 56.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 0.0 110.989 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.39 34.41 5.03 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.466 1.104 . . . . 0.0 109.29 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 4.6 t30 -105.5 -54.18 2.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.12 . . . . 0.0 109.305 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -165.19 156.74 14.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 109.298 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.53 ' HB3' ' CG ' ' A' ' 6' ' ' TYR . 66.3 p -69.91 -32.33 70.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 110.031 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.512 ' O ' ' CB ' ' A' ' 22' ' ' ASP . 49.3 mt-30 -65.65 -24.13 66.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.455 1.097 . . . . 0.0 110.292 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 43.2 tp -70.55 -65.92 0.67 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 0.0 109.278 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.457 ' CB ' ' SG ' ' A' ' 11' ' ' CYS . . . -55.34 -33.78 63.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.259 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' TRP . . . . . 0.57 ' HB2' ' CZ ' ' A' ' 40' ' ' PHE . 5.5 t-105 -74.5 -41.23 61.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.117 . . . . 0.0 108.059 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.512 ' CB ' ' O ' ' A' ' 18' ' ' GLN . 4.4 t70 -65.33 -11.69 44.39 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.441 1.088 . . . . 0.0 109.314 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.418 HG22 ' N ' ' A' ' 24' ' ' CYS . 0.8 OUTLIER -85.65 -61.05 1.85 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.53 1.143 . . . . 0.0 110.392 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.438 ' SG ' ' N ' ' A' ' 25' ' ' SER . 0.0 OUTLIER -79.81 -67.37 0.77 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 108.326 179.958 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.513 ' HB2' ' CE2' ' A' ' 21' ' ' TRP . 0.1 OUTLIER -77.76 53.19 1.1 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.477 1.111 . . . . 0.0 110.035 179.962 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.031 0 O-C-N 124.534 1.146 . . . . 0.0 110.954 -179.984 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 25.3 p30 . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.435 ' CB ' ' O ' ' A' ' 24' ' ' CYS . 0.6 OUTLIER -60.84 137.3 58.22 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 108.252 -179.965 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 176.18 -173.65 46.41 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.441 1.088 . . . . 0.0 111.005 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.437 ' HA ' ' SG ' ' A' ' 36' ' ' CYS . 88.7 m -85.28 -6.33 59.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 0.759 . . . . 0.0 110.402 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.497 ' O ' ' HB2' ' A' ' 38' ' ' GLN . 70.4 t -82.76 -34.65 11.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.311 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -63.37 -19.05 64.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 108.345 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.8 ' SG ' ' HB2' ' A' ' 49' ' ' ALA . 73.6 m -55.63 -78.97 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.542 1.151 . . . . 0.0 108.276 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -84.7 48.63 4.09 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.471 1.107 . . . . 0.0 111.015 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.843 ' O ' HG23 ' A' ' 10' ' ' THR . 2.0 tt0 -120.45 -59.85 1.73 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.428 0.723 . . . . 0.0 110.306 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 61.1 m -112.06 -13.51 13.56 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.457 1.098 . . . . 0.0 108.297 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.57 ' CZ ' ' HB2' ' A' ' 21' ' ' TRP . 1.2 m-85 -135.1 174.5 10.54 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.123 . . . . 0.0 110.99 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.516 ' C ' ' H ' ' A' ' 45' ' ' SER . 3.3 m -143.71 158.23 43.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 109.962 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.741 ' CD2' ' HA ' ' A' ' 43' ' ' PRO . 0.2 OUTLIER -54.73 153.92 10.16 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.511 1.132 . . . . 0.0 111.0 -179.953 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.741 ' HA ' ' CD2' ' A' ' 42' ' ' PHE . 18.3 Cg_endo -74.99 6.46 11.63 Favored 'Cis proline' 0 C--N 1.36 1.162 0 C-N-CA 121.006 -2.497 . . . . 0.0 111.001 -0.022 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.705 HG21 ' CG ' ' A' ' 5' ' ' PHE . 2.0 t -70.17 -36.97 70.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 109.313 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.516 ' H ' ' C ' ' A' ' 41' ' ' SER . 0.6 OUTLIER -52.52 -17.84 1.43 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.54 1.15 . . . . 0.0 110.024 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.615 ' HB2' ' CE1' ' A' ' 42' ' ' PHE . 0.4 OUTLIER -89.08 -25.23 22.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 110.281 179.967 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 47' ' ' SER . . . . . 0.449 ' N ' ' O ' ' A' ' 44' ' ' VAL . 2.5 t -75.19 -37.94 61.01 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.524 1.14 . . . . 0.0 110.052 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' CYS . . . . . 0.433 ' SG ' ' N ' ' A' ' 36' ' ' CYS . 0.1 OUTLIER -54.08 -66.24 0.43 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 108.305 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.8 ' HB2' ' SG ' ' A' ' 36' ' ' CYS . . . -59.48 -16.16 22.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 0.0 109.273 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -80.16 -52.96 4.35 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.477 1.111 . . . . 0.0 111.039 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' MET . . . . . 0.433 ' HB3' ' CB ' ' A' ' 25' ' ' SER . 3.9 tpt -85.47 14.34 5.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 0.78 . . . . 0.0 110.998 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 0.0 109.321 179.996 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.452 -0.344 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -55.94 -29.33 59.96 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 110.292 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -74.24 -5.56 42.72 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.472 1.107 . . . . 0.0 109.276 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 18.4 m-85 -126.88 16.71 7.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 110.983 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' TYR . . . . . 0.539 ' CG ' ' HB3' ' A' ' 17' ' ' SER . 5.5 t80 -78.79 132.57 36.95 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.47 1.107 . . . . 0.0 111.002 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.424 ' O ' ' OG1' ' A' ' 7' ' ' THR . 8.7 p -121.53 89.38 3.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 110.432 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -67.69 -8.39 34.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.471 1.107 . . . . 0.0 110.005 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -68.96 -46.1 69.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.112 . . . . 0.0 110.27 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.914 HG23 ' O ' ' A' ' 38' ' ' GLN . 0.5 OUTLIER -99.13 -27.91 13.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.133 . . . . 0.0 110.381 -179.983 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.463 ' SG ' ' CB ' ' A' ' 20' ' ' ALA . 7.7 t -64.31 137.29 97.08 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 108.258 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.566 ' HG2' ' CE2' ' A' ' 13' ' ' TYR . 18.1 Cg_endo -75.05 -7.61 19.27 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.503 1.791 . . . . 0.0 110.998 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.566 ' CE2' ' HG2' ' A' ' 12' ' ' PRO . 52.5 m-85 -122.68 139.27 54.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 110.98 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.54 34.49 4.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 109.291 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 17.9 t30 -99.35 -45.73 5.75 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 109.352 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -165.47 156.54 14.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.336 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.539 ' HB3' ' CG ' ' A' ' 6' ' ' TYR . 9.3 p -73.62 -34.11 64.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.993 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 42.9 tt0 -74.6 -22.71 58.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 110.322 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.721 HD13 ' N ' ' A' ' 20' ' ' ALA . 0.4 OUTLIER -65.98 -58.52 5.35 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 109.263 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.721 ' N ' HD13 ' A' ' 19' ' ' LEU . . . -60.98 -32.81 72.35 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.498 1.124 . . . . 0.0 109.281 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' TRP . . . . . 0.565 ' HB2' ' CZ ' ' A' ' 40' ' ' PHE . 7.6 t-105 -68.06 -41.01 82.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 108.005 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 35.8 t0 -66.5 -13.08 60.4 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.462 1.101 . . . . 0.0 109.325 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.414 HG22 ' N ' ' A' ' 24' ' ' CYS . 0.7 OUTLIER -84.61 -55.43 4.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 110.424 179.962 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.433 ' SG ' ' N ' ' A' ' 25' ' ' SER . 0.0 OUTLIER -85.91 -71.59 0.53 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 108.289 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.526 ' HB2' ' CE2' ' A' ' 21' ' ' TRP . 0.1 OUTLIER -79.81 51.96 1.39 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.448 1.093 . . . . 0.0 109.967 -179.962 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.944 0 O-C-N 124.489 1.118 . . . . 0.0 111.005 180.0 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 42.6 p-10 . . . . . 0 N--CA 1.454 -0.259 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -63.49 125.19 23.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 108.275 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -170.42 179.05 42.78 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.539 1.149 . . . . 0.0 110.965 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.471 ' HA ' ' SG ' ' A' ' 36' ' ' CYS . 91.8 m -85.49 -5.76 59.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 0.765 . . . . 0.0 110.421 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.455 ' O ' ' HB2' ' A' ' 38' ' ' GLN . 53.2 t -79.25 -35.09 16.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.467 1.105 . . . . 0.0 109.317 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -63.06 -14.13 44.38 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.493 1.121 . . . . 0.0 108.3 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.693 ' SG ' ' HB2' ' A' ' 49' ' ' ALA . 81.4 m -55.52 -69.4 0.14 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 108.283 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -97.56 45.4 1.74 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.538 1.149 . . . . 0.0 110.99 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.914 ' O ' HG23 ' A' ' 10' ' ' THR . 0.1 OUTLIER -121.36 -36.21 3.13 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 0.763 . . . . 0.0 110.294 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.403 ' O ' ' N ' ' A' ' 7' ' ' THR . 70.7 m -125.72 -41.06 2.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.548 1.155 . . . . 0.0 108.307 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.565 ' CZ ' ' HB2' ' A' ' 21' ' ' TRP . 0.5 OUTLIER -114.93 179.39 3.96 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.52 1.137 . . . . 0.0 111.002 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.5 ' O ' ' HB ' ' A' ' 44' ' ' VAL . 2.7 m -140.97 158.75 43.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 110.03 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.712 ' CD2' ' HA ' ' A' ' 43' ' ' PRO . 0.2 OUTLIER -55.17 154.93 9.78 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 111.015 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.712 ' HA ' ' CD2' ' A' ' 42' ' ' PHE . 18.4 Cg_endo -74.95 7.88 10.41 Favored 'Cis proline' 0 C--N 1.36 1.136 0 C-N-CA 121.001 -2.499 . . . . 0.0 111.0 -0.029 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.5 ' HB ' ' O ' ' A' ' 41' ' ' SER . 2.1 t -70.6 -38.59 73.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 0.0 109.322 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.545 ' HB3' ' N ' ' A' ' 42' ' ' PHE . 0.2 OUTLIER -52.74 -18.35 1.79 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.13 . . . . 0.0 110.008 -179.967 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.59 ' HB2' ' CE1' ' A' ' 42' ' ' PHE . 4.2 tt0 -87.53 -24.61 24.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.54 1.15 . . . . 0.0 110.285 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' SER . . . . . 0.428 ' N ' ' O ' ' A' ' 44' ' ' VAL . 87.2 p -75.27 -38.05 60.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.096 . . . . 0.0 110.019 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' CYS . . . . . 0.429 ' O ' ' HB2' ' A' ' 52' ' ' ALA . 1.0 OUTLIER -53.18 -65.49 0.55 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.14 . . . . 0.0 108.305 179.977 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.693 ' HB2' ' SG ' ' A' ' 36' ' ' CYS . . . -58.05 -17.4 17.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 109.334 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -80.51 -55.76 3.34 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.491 1.119 . . . . 0.0 110.962 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' MET . . . . . 0.5 ' HB3' ' CZ2' ' A' ' 21' ' ' TRP . 0.6 OUTLIER -85.32 15.53 4.3 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.516 0.774 . . . . 0.0 111.04 179.977 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.429 ' HB2' ' O ' ' A' ' 48' ' ' CYS . . . . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 109.306 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 5.4 tm-20 -53.66 -31.21 46.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 110.284 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -74.07 -4.19 34.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 109.32 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' PHE . . . . . 0.494 ' CB ' HG21 ' A' ' 44' ' ' VAL . 12.5 m-85 -128.17 13.12 6.67 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.14 . . . . 0.0 110.98 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 6' ' ' TYR . . . . . 0.542 ' CG ' ' HB3' ' A' ' 17' ' ' SER . 4.6 t80 -78.44 142.32 37.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 111.008 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.424 ' OG1' ' CG2' ' A' ' 10' ' ' THR . 38.4 p -125.94 88.22 2.82 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.43 1.081 . . . . 0.0 110.354 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.24 -11.76 44.42 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 110.003 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -68.95 -48.56 62.89 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.458 1.099 . . . . 0.0 110.328 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.946 HG23 ' O ' ' A' ' 38' ' ' GLN . 0.5 OUTLIER -94.21 -29.23 15.21 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.496 1.122 . . . . 0.0 110.376 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.407 ' SG ' ' CB ' ' A' ' 20' ' ' ALA . 6.1 t -64.37 136.4 96.74 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.5 1.125 . . . . 0.0 108.32 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -13.54 21.38 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.47 1.774 . . . . 0.0 110.98 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.588 ' HB3' HD23 ' A' ' 19' ' ' LEU . 99.7 m-85 -111.1 135.98 50.82 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.486 1.116 . . . . 0.0 111.013 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.22 32.57 5.96 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.117 . . . . 0.0 109.273 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ASN . . . . . 0.859 ' HB3' HD22 ' A' ' 19' ' ' LEU . 49.5 t30 -95.71 -60.56 1.62 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.544 1.153 . . . . 0.0 109.338 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -165.81 156.04 12.86 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 109.257 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.542 ' HB3' ' CG ' ' A' ' 6' ' ' TYR . 36.3 p -63.91 -34.17 77.36 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 109.998 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 12.2 mt-30 -66.94 -32.57 73.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 110.294 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.859 HD22 ' HB3' ' A' ' 15' ' ' ASN . 7.9 tp -62.79 -64.97 0.76 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 109.313 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.512 ' HB1' ' SG ' ' A' ' 39' ' ' CYS . . . -56.55 -33.56 66.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.547 1.154 . . . . 0.0 109.303 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' TRP . . . . . 0.524 ' CE2' ' HB2' ' A' ' 25' ' ' SER . 19.0 t-105 -66.48 -44.98 81.18 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 107.996 -1.113 . . . . 0.0 107.996 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 11.7 t0 -65.68 -23.59 66.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.272 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.414 ' HB ' ' O ' ' A' ' 20' ' ' ALA . 0.9 OUTLIER -71.03 -64.16 0.96 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 110.421 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.418 ' O ' ' CB ' ' A' ' 31' ' ' CYS . 0.0 OUTLIER -82.64 -60.29 2.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.13 . . . . 0.0 108.306 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.524 ' HB2' ' CE2' ' A' ' 21' ' ' TRP . 0.1 OUTLIER -76.48 54.04 0.9 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 109.97 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.946 0 O-C-N 124.529 1.143 . . . . 0.0 111.007 179.962 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.454 -0.267 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.418 ' CB ' ' O ' ' A' ' 24' ' ' CYS . 10.3 p -76.18 131.69 39.51 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 108.306 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -176.24 -179.55 46.77 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.536 1.148 . . . . 0.0 111.042 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.448 ' HA ' ' SG ' ' A' ' 36' ' ' CYS . 93.8 m -85.1 -4.44 59.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 0.781 . . . . 0.0 110.393 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.486 ' O ' ' HB2' ' A' ' 38' ' ' GLN . 63.0 t -82.49 -34.71 12.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.551 1.157 . . . . 0.0 109.333 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -63.17 -13.3 35.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 108.258 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.674 ' SG ' ' HB2' ' A' ' 49' ' ' ALA . 72.5 m -54.72 -78.24 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 108.321 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -87.07 42.07 3.13 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.558 1.161 . . . . 0.0 111.003 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.946 ' O ' HG23 ' A' ' 10' ' ' THR . 6.4 tp60 -123.06 -41.69 2.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.475 0.75 . . . . 0.0 110.348 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.512 ' SG ' ' HB1' ' A' ' 20' ' ' ALA . 17.6 m -114.32 -30.11 6.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.122 . . . . 0.0 108.283 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.499 ' CZ ' ' HB2' ' A' ' 21' ' ' TRP . 0.3 OUTLIER -133.8 -177.23 4.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.125 . . . . 0.0 110.987 -179.981 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.498 ' O ' ' HB ' ' A' ' 44' ' ' VAL . 3.1 m -140.81 157.49 45.32 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.459 1.1 . . . . 0.0 110.026 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.72 ' CD2' ' HA ' ' A' ' 43' ' ' PRO . 0.2 OUTLIER -55.04 154.7 9.68 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 111.004 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.72 ' HA ' ' CD2' ' A' ' 42' ' ' PHE . 18.3 Cg_endo -75.01 7.59 10.77 Favored 'Cis proline' 0 C--N 1.359 1.122 0 C-N-CA 121.008 -2.496 . . . . 0.0 110.997 0.031 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.498 ' HB ' ' O ' ' A' ' 41' ' ' SER . 2.1 t -70.58 -38.13 72.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.569 1.168 . . . . 0.0 109.327 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.554 ' HB3' ' N ' ' A' ' 42' ' ' PHE . 0.2 OUTLIER -52.56 -18.52 1.77 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.469 1.105 . . . . 0.0 110.02 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.591 ' HB2' ' CE1' ' A' ' 42' ' ' PHE . 1.3 tt0 -87.07 -24.16 24.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 110.28 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' SER . . . . . 0.448 ' N ' ' O ' ' A' ' 44' ' ' VAL . 0.8 OUTLIER -75.57 -38.28 59.31 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.534 1.146 . . . . 0.0 110.001 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 48' ' ' CYS . . . . . 0.413 ' O ' ' HB2' ' A' ' 52' ' ' ALA . 1.4 t -53.45 -65.1 0.62 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.473 1.108 . . . . 0.0 108.327 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.674 ' HB2' ' SG ' ' A' ' 36' ' ' CYS . . . -57.46 -18.78 20.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.344 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -79.57 -56.83 3.26 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.469 1.105 . . . . 0.0 110.999 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' MET . . . . . 0.417 ' O ' ' HA ' ' A' ' 25' ' ' SER . 6.1 tpp -86.52 21.97 2.0 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 0.76 . . . . 0.0 110.964 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.413 ' HB2' ' O ' ' A' ' 48' ' ' CYS . . . . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.131 . . . . 0.0 109.3 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 1.6 pt . . . . . 0 N--CA 1.452 -0.334 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -54.0 -27.28 30.76 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.488 1.118 . . . . 0.0 110.274 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -74.57 -9.35 58.49 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.511 1.132 . . . . 0.0 109.316 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 5' ' ' PHE . . . . . 0.494 ' CG ' HG21 ' A' ' 44' ' ' VAL . 13.9 m-85 -123.88 16.4 9.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.111 . . . . 0.0 111.03 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 6' ' ' TYR . . . . . 0.553 ' CG ' ' HB2' ' A' ' 17' ' ' SER . 3.2 t80 -78.2 116.39 18.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 111.002 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.454 ' OG1' ' CG2' ' A' ' 10' ' ' THR . 7.2 p -105.27 90.64 3.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 110.383 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -68.6 -8.85 45.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.982 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.37 -51.3 38.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 110.294 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.943 HG23 ' O ' ' A' ' 38' ' ' GLN . 0.8 OUTLIER -91.52 -27.7 18.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 110.401 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.428 ' SG ' ' HD2' ' A' ' 12' ' ' PRO . 7.4 t -63.96 137.22 97.04 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.51 1.131 . . . . 0.0 108.337 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.428 ' HD2' ' SG ' ' A' ' 11' ' ' CYS . 18.2 Cg_endo -75.01 -24.55 12.69 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.51 1.795 . . . . 0.0 111.004 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 63.7 m-85 -109.1 -179.51 3.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 111.017 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.432 ' HG2' ' N ' ' A' ' 15' ' ' ASN . 0.0 OUTLIER -153.41 -142.42 0.12 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.443 1.09 . . . . 0.0 109.283 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ASN . . . . . 0.432 ' N ' ' HG2' ' A' ' 14' ' ' LYS . 1.0 OUTLIER 72.16 -68.76 0.21 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 109.277 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -142.75 156.78 45.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.15 . . . . 0.0 109.346 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.553 ' HB2' ' CG ' ' A' ' 6' ' ' TYR . 11.5 t -75.77 -31.85 59.69 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.507 1.129 . . . . 0.0 110.021 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 15.6 tt0 -65.51 -17.3 64.46 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.547 1.155 . . . . 0.0 110.31 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 43.6 tp -70.45 -64.95 0.8 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.542 1.151 . . . . 0.0 109.299 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.405 ' CB ' ' SG ' ' A' ' 11' ' ' CYS . . . -58.14 -32.03 67.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 109.326 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' TRP . . . . . 0.521 ' HB2' ' CZ ' ' A' ' 40' ' ' PHE . 6.0 t-105 -70.77 -37.56 73.38 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.099 . . . . 0.0 108.044 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -64.74 -13.23 54.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 109.296 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -91.03 -66.25 0.94 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.44 1.088 . . . . 0.0 110.34 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.444 ' SG ' ' N ' ' A' ' 25' ' ' SER . 0.0 OUTLIER -67.52 -71.72 0.2 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 108.318 -179.956 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.514 ' OG ' ' CD2' ' A' ' 21' ' ' TRP . 0.0 OUTLIER -80.98 51.67 1.61 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.439 1.087 . . . . 0.0 109.993 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.056 0 O-C-N 124.502 1.126 . . . . 0.0 110.995 -179.997 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 44.9 p-10 . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -59.09 138.55 57.5 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 108.29 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 170.63 -179.5 42.62 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.518 1.136 . . . . 0.0 111.011 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.416 ' O ' ' SG ' ' A' ' 36' ' ' CYS . 59.6 m -81.33 -5.01 57.38 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.562 0.801 . . . . 0.0 110.447 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.42 ' O ' ' HB2' ' A' ' 38' ' ' GLN . 69.0 t -73.98 -42.07 52.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 109.271 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -63.06 -14.68 51.14 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.473 1.108 . . . . 0.0 108.272 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.552 ' SG ' ' N ' ' A' ' 37' ' ' GLY . 0.5 OUTLIER -55.86 -53.33 58.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.105 . . . . 0.0 108.24 -179.957 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.552 ' N ' ' SG ' ' A' ' 36' ' ' CYS . . . -114.36 42.99 1.79 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.517 1.136 . . . . 0.0 111.015 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.943 ' O ' HG23 ' A' ' 10' ' ' THR . 24.1 tp60 -119.79 -40.35 2.76 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.447 0.734 . . . . 0.0 110.33 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 92.2 m -122.5 -37.29 2.8 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.539 1.149 . . . . 0.0 108.297 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.521 ' CZ ' ' HB2' ' A' ' 21' ' ' TRP . 0.6 OUTLIER -118.64 -176.87 3.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 110.984 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.528 ' O ' ' HB ' ' A' ' 44' ' ' VAL . 0.0 OUTLIER -148.17 156.03 42.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 109.979 -179.974 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.723 ' CD2' ' HA ' ' A' ' 43' ' ' PRO . 0.2 OUTLIER -54.06 154.71 7.34 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 111.043 179.948 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.723 ' HA ' ' CD2' ' A' ' 42' ' ' PHE . 18.4 Cg_endo -75.01 8.7 9.87 Favored 'Cis proline' 0 C--N 1.36 1.152 0 C-N-CA 120.999 -2.501 . . . . 0.0 110.965 0.02 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.528 ' HB ' ' O ' ' A' ' 41' ' ' SER . 2.4 t -70.06 -39.92 77.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.098 . . . . 0.0 109.298 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.493 ' HB3' ' N ' ' A' ' 42' ' ' PHE . 0.1 OUTLIER -51.72 -20.44 2.11 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.548 1.155 . . . . 0.0 109.968 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.581 ' HB2' ' CE1' ' A' ' 42' ' ' PHE . 10.4 tt0 -80.99 -32.22 34.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 110.26 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 17.7 p -76.03 -37.75 58.01 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 110.028 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' CYS . . . . . 0.448 ' O ' ' HB2' ' A' ' 52' ' ' ALA . 0.1 OUTLIER -54.2 -55.62 26.25 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.134 . . . . 0.0 108.344 179.948 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -68.76 -17.91 64.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.139 . . . . 0.0 109.285 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -77.58 -52.37 5.54 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.466 1.104 . . . . 0.0 110.986 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' MET . . . . . 0.443 ' CB ' ' CZ2' ' A' ' 21' ' ' TRP . 0.8 OUTLIER -84.99 13.87 5.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 0.762 . . . . 0.0 110.99 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.448 ' HB2' ' O ' ' A' ' 48' ' ' CYS . . . . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.301 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -55.85 -32.22 63.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.11 . . . . 0.0 110.303 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -74.05 -4.42 35.35 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.112 . . . . 0.0 109.333 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 20.6 m-85 -128.0 18.06 6.66 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 0.0 111.014 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' TYR . . . . . 0.538 ' CG ' ' HB3' ' A' ' 17' ' ' SER . 5.0 t80 -78.73 134.83 37.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 111.016 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.465 ' N ' ' O ' ' A' ' 39' ' ' CYS . 19.6 p -121.82 89.22 3.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.45 1.094 . . . . 0.0 110.443 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -67.44 -9.63 43.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.987 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -68.46 -50.73 50.35 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.132 . . . . 0.0 110.27 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.901 HG23 ' O ' ' A' ' 38' ' ' GLN . 0.6 OUTLIER -93.94 -28.71 15.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 110.426 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.502 ' SG ' ' CB ' ' A' ' 20' ' ' ALA . 7.9 t -64.55 137.67 97.21 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 108.299 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.569 ' HG2' ' CE2' ' A' ' 13' ' ' TYR . 18.3 Cg_endo -74.99 -4.21 15.07 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.511 1.795 . . . . 0.0 111.0 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.569 ' CE2' ' HG2' ' A' ' 12' ' ' PRO . 28.2 m-85 -124.21 149.23 46.61 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.576 1.172 . . . . 0.0 111.003 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.453 ' HD3' ' N ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -139.32 27.77 2.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 0.0 109.3 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -94.92 -43.68 8.07 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.448 1.092 . . . . 0.0 109.334 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -165.49 155.03 12.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 109.268 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.538 ' HB3' ' CG ' ' A' ' 6' ' ' TYR . 1.8 p -72.99 -33.79 66.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.967 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 76.1 mt-30 -73.1 -26.91 61.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 110.296 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.731 HD13 ' N ' ' A' ' 20' ' ' ALA . 0.3 OUTLIER -62.73 -57.4 11.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 0.0 109.325 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.731 ' N ' HD13 ' A' ' 19' ' ' LEU . . . -61.1 -34.41 74.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 109.312 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' TRP . . . . . 0.543 ' HB2' ' CZ ' ' A' ' 40' ' ' PHE . 9.5 t-105 -68.03 -43.69 78.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.133 . . . . 0.0 107.992 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -65.49 -14.0 60.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.113 . . . . 0.0 109.292 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.511 HG22 ' N ' ' A' ' 24' ' ' CYS . 0.6 OUTLIER -80.44 -58.0 3.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.44 1.088 . . . . 0.0 110.385 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.511 ' N ' HG22 ' A' ' 23' ' ' THR . 0.0 OUTLIER -87.31 -68.38 0.76 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.13 . . . . 0.0 108.303 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.533 ' HB2' ' CE2' ' A' ' 21' ' ' TRP . 0.1 OUTLIER -80.32 51.89 1.5 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.115 . . . . 0.0 109.981 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 O-C-N 124.486 1.116 . . . . 0.0 111.019 -179.996 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 5.8 p30 . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -54.9 133.78 48.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 108.284 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 179.48 177.95 48.09 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.501 1.126 . . . . 0.0 110.991 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.453 ' HA ' ' SG ' ' A' ' 36' ' ' CYS . 96.2 m -85.16 -5.41 59.33 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.522 0.778 . . . . 0.0 110.401 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.466 ' O ' ' HB2' ' A' ' 38' ' ' GLN . 97.5 t -81.34 -34.22 13.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.484 1.115 . . . . 0.0 109.285 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -62.77 -14.67 47.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.149 . . . . 0.0 108.343 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.667 ' SG ' ' HB2' ' A' ' 49' ' ' ALA . 61.4 m -55.99 -76.47 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.548 1.155 . . . . 0.0 108.302 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -88.1 44.14 3.19 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.498 1.124 . . . . 0.0 111.025 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.901 ' O ' HG23 ' A' ' 10' ' ' THR . 3.8 tt0 -121.09 -35.17 3.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 0.777 . . . . 0.0 110.32 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.465 ' O ' ' N ' ' A' ' 7' ' ' THR . 71.1 m -126.55 -44.13 1.7 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.123 . . . . 0.0 108.297 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.543 ' CZ ' ' HB2' ' A' ' 21' ' ' TRP . 0.4 OUTLIER -112.74 178.61 4.23 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 0.0 110.955 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.496 ' O ' ' HB ' ' A' ' 44' ' ' VAL . 1.2 p -139.27 158.06 44.83 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.522 1.139 . . . . 0.0 109.959 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.706 ' CD2' ' HA ' ' A' ' 43' ' ' PRO . 0.2 OUTLIER -54.75 154.83 8.71 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 111.039 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.706 ' HA ' ' CD2' ' A' ' 42' ' ' PHE . 18.4 Cg_endo -74.99 7.82 10.53 Favored 'Cis proline' 0 C--N 1.359 1.114 0 C-N-CA 120.991 -2.504 . . . . 0.0 111.036 0.021 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.496 ' HB ' ' O ' ' A' ' 41' ' ' SER . 2.1 t -70.43 -38.68 74.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 109.358 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.543 ' HB3' ' N ' ' A' ' 42' ' ' PHE . 0.2 OUTLIER -52.73 -18.62 1.92 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 0.0 110.007 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.602 ' HB2' ' CE1' ' A' ' 42' ' ' PHE . 3.7 tt0 -86.5 -24.62 25.49 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.524 1.14 . . . . 0.0 110.296 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.7 m -75.25 -37.81 60.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 110.002 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' CYS . . . . . 0.499 ' O ' ' HB2' ' A' ' 52' ' ' ALA . 0.8 OUTLIER -53.86 -63.05 1.27 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 108.296 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.667 ' HB2' ' SG ' ' A' ' 36' ' ' CYS . . . -60.49 -15.93 31.86 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.117 . . . . 0.0 109.325 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -82.48 -55.53 3.01 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.438 1.086 . . . . 0.0 110.998 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' MET . . . . . 0.519 ' CB ' ' CZ2' ' A' ' 21' ' ' TRP . 0.0 OUTLIER -85.38 15.05 4.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 0.785 . . . . 0.0 111.039 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.499 ' HB2' ' O ' ' A' ' 48' ' ' CYS . . . . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 109.266 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -60.32 -31.0 69.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 0.0 110.3 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 79.1 m-20 -74.11 -5.08 39.52 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.482 1.114 . . . . 0.0 109.306 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 16.3 m-85 -127.41 14.24 7.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 0.0 111.033 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' TYR . . . . . 0.557 ' CG ' ' HB3' ' A' ' 17' ' ' SER . 4.2 t80 -78.46 128.78 34.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 110.98 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 10.2 p -114.95 89.71 3.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 110.41 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 38.2 t -71.38 -5.29 31.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 109.992 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -73.25 -48.14 37.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 110.295 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.882 HG23 ' O ' ' A' ' 38' ' ' GLN . 0.6 OUTLIER -97.52 -26.32 14.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 110.381 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.406 ' SG ' ' CB ' ' A' ' 20' ' ' ALA . 15.5 t -64.54 136.29 96.71 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.145 . . . . 0.0 108.316 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.405 ' HD2' ' SG ' ' A' ' 11' ' ' CYS . 18.4 Cg_endo -75.0 -20.6 16.71 Favored 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.53 1.805 . . . . 0.0 110.967 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.566 ' HB2' ' HB2' ' A' ' 20' ' ' ALA . 84.4 m-85 -101.48 178.22 4.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 111.006 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.461 ' O ' HD23 ' A' ' 19' ' ' LEU . 0.8 OUTLIER -155.75 -159.28 0.89 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.313 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ASN . . . . . 0.444 ' N ' ' HD2' ' A' ' 14' ' ' LYS . 1.6 t30 77.27 -67.58 0.2 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 109.284 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -143.05 160.33 40.58 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.45 1.094 . . . . 0.0 109.296 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.557 ' HB3' ' CG ' ' A' ' 6' ' ' TYR . 79.4 p -77.59 -31.4 53.03 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.5 1.125 . . . . 0.0 110.046 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 19.0 mt-30 -65.11 -18.85 65.65 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.512 1.132 . . . . 0.0 110.308 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.461 HD23 ' O ' ' A' ' 14' ' ' LYS . 52.6 tp -69.45 -55.18 11.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.295 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.566 ' HB2' ' HB2' ' A' ' 13' ' ' TYR . . . -67.94 -34.19 76.11 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.546 1.154 . . . . 0.0 109.329 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' TRP . . . . . 0.584 ' CZ2' ' CB ' ' A' ' 51' ' ' MET . 7.4 t-105 -68.69 -37.85 79.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.106 . . . . 0.0 108.025 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -65.11 -14.95 61.8 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 109.328 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.645 HG22 ' N ' ' A' ' 24' ' ' CYS . 0.7 OUTLIER -84.96 -68.7 0.7 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.13 . . . . 0.0 110.383 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.645 ' N ' HG22 ' A' ' 23' ' ' THR . 0.0 OUTLIER -70.14 -71.62 0.23 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.462 1.101 . . . . 0.0 108.287 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.527 ' HB2' ' CE2' ' A' ' 21' ' ' TRP . 0.1 OUTLIER -77.83 52.73 1.06 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 109.977 180.0 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.02 0 O-C-N 124.523 1.139 . . . . 0.0 110.988 -179.999 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 1.3 p-10 . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -61.39 131.2 49.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 108.3 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -177.21 -177.75 46.36 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.474 1.109 . . . . 0.0 110.997 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.457 ' HA ' ' SG ' ' A' ' 36' ' ' CYS . 96.5 m -85.14 -6.28 59.3 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 0.774 . . . . 0.0 110.388 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.5 ' O ' ' HB2' ' A' ' 38' ' ' GLN . 70.6 t -81.43 -34.28 13.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 0.0 109.323 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -62.79 -18.56 62.91 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.458 1.099 . . . . 0.0 108.326 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.734 ' SG ' ' HB2' ' A' ' 49' ' ' ALA . 63.4 m -54.64 -77.14 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.119 . . . . 0.0 108.296 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -87.11 48.0 3.76 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.518 1.136 . . . . 0.0 110.991 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.882 ' O ' HG23 ' A' ' 10' ' ' THR . 2.5 tp60 -120.98 -50.23 2.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 0.769 . . . . 0.0 110.321 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.404 ' SG ' ' HD2' ' A' ' 12' ' ' PRO . 75.4 m -115.05 -34.74 4.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.559 1.162 . . . . 0.0 108.326 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.559 ' CZ ' ' HB2' ' A' ' 21' ' ' TRP . 0.9 OUTLIER -118.74 177.28 4.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 110.963 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.489 ' O ' ' HB ' ' A' ' 44' ' ' VAL . 0.3 OUTLIER -140.8 158.9 43.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.532 1.145 . . . . 0.0 109.967 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.712 ' CD2' ' HA ' ' A' ' 43' ' ' PRO . 0.2 OUTLIER -55.05 154.85 9.43 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 110.982 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.712 ' HA ' ' CD2' ' A' ' 42' ' ' PHE . 18.4 Cg_endo -74.96 7.58 10.67 Favored 'Cis proline' 0 C--N 1.36 1.17 0 C-N-CA 121.01 -2.496 . . . . 0.0 111.019 -0.027 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.489 ' HB ' ' O ' ' A' ' 41' ' ' SER . 2.1 t -70.56 -38.21 72.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 109.299 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.553 ' HB3' ' N ' ' A' ' 42' ' ' PHE . 0.2 OUTLIER -52.33 -18.78 1.73 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.43 1.081 . . . . 0.0 110.01 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.601 ' HB2' ' CE1' ' A' ' 42' ' ' PHE . 10.4 tt0 -86.6 -25.38 24.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.451 1.094 . . . . 0.0 110.298 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' SER . . . . . 0.421 ' N ' ' O ' ' A' ' 44' ' ' VAL . 3.4 m -75.45 -37.49 60.31 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 0.0 110.024 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' CYS . . . . . 0.404 ' SG ' ' N ' ' A' ' 36' ' ' CYS . 0.1 OUTLIER -53.74 -65.22 0.6 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 108.315 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.734 ' HB2' ' SG ' ' A' ' 36' ' ' CYS . . . -58.8 -16.84 18.94 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 109.286 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -80.93 -54.24 3.69 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.504 1.128 . . . . 0.0 111.018 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' MET . . . . . 0.584 ' CB ' ' CZ2' ' A' ' 21' ' ' TRP . 0.0 OUTLIER -85.35 15.51 4.34 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 0.747 . . . . 0.0 110.962 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.474 1.109 . . . . 0.0 109.234 -179.995 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.452 -0.325 0 N-CA-C 109.33 -0.619 . . . . 0.0 109.33 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.61 -30.58 63.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.549 1.156 . . . . 0.0 110.288 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 37.5 m-20 -74.06 -4.79 37.67 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.481 1.113 . . . . 0.0 109.32 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 12.3 m-85 -126.87 17.55 7.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.554 1.159 . . . . 0.0 110.985 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' TYR . . . . . 0.527 ' CG ' ' HB3' ' A' ' 17' ' ' SER . 5.0 t80 -78.61 128.44 33.5 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.52 1.138 . . . . 0.0 110.992 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.408 ' N ' ' O ' ' A' ' 39' ' ' CYS . 9.8 p -116.55 91.29 3.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.553 1.158 . . . . 0.0 110.399 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' SER . . . . . 0.401 ' OG ' ' HA ' ' A' ' 14' ' ' LYS . 0.1 OUTLIER -70.9 -5.83 33.7 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 110.011 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -71.63 -43.91 65.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.447 1.092 . . . . 0.0 110.311 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.929 HG23 ' O ' ' A' ' 38' ' ' GLN . 0.4 OUTLIER -102.05 -27.88 12.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 0.0 110.388 -179.96 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.488 ' SG ' ' CB ' ' A' ' 20' ' ' ALA . 8.4 t -64.61 137.48 97.15 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 108.284 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.536 ' HG2' ' CE2' ' A' ' 13' ' ' TYR . 18.3 Cg_endo -74.97 -5.19 16.48 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.52 1.8 . . . . 0.0 111.042 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.577 ' HB3' HD12 ' A' ' 19' ' ' LEU . 24.7 m-85 -122.75 148.65 45.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.135 . . . . 0.0 110.977 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.463 ' HD3' ' N ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -140.01 28.35 2.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.113 . . . . 0.0 109.303 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -96.96 -42.64 7.82 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 109.287 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -165.51 152.4 10.24 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.528 1.142 . . . . 0.0 109.313 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.527 ' HB3' ' CG ' ' A' ' 6' ' ' TYR . 1.6 p -71.42 -35.26 70.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 109.971 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.407 ' O ' ' N ' ' A' ' 22' ' ' ASP . 5.2 mt-30 -70.93 -27.25 63.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 110.294 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.72 HD13 ' N ' ' A' ' 20' ' ' ALA . 0.3 OUTLIER -62.53 -57.31 11.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.547 1.154 . . . . 0.0 109.339 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.72 ' N ' HD13 ' A' ' 19' ' ' LEU . . . -59.89 -34.23 72.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 0.0 109.294 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' TRP . . . . . 0.59 ' CZ2' ' CB ' ' A' ' 51' ' ' MET . 7.1 t-105 -70.68 -40.08 73.15 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 107.987 -1.116 . . . . 0.0 107.987 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.407 ' N ' ' O ' ' A' ' 18' ' ' GLN . 0.4 OUTLIER -64.6 -13.44 53.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 109.264 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.688 HG22 ' N ' ' A' ' 24' ' ' CYS . 0.7 OUTLIER -83.99 -70.15 0.59 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 110.408 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.688 ' N ' HG22 ' A' ' 23' ' ' THR . 0.0 OUTLIER -70.25 -70.53 0.29 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 108.314 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.446 ' N ' ' SG ' ' A' ' 24' ' ' CYS . 0.0 OUTLIER -77.42 52.1 0.92 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 109.989 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.015 0 O-C-N 124.469 1.106 . . . . 0.0 110.983 -179.967 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 1.1 p-10 . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.504 ' CB ' ' O ' ' A' ' 24' ' ' CYS . 1.2 p -67.07 141.88 57.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.558 1.161 . . . . 0.0 108.279 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 179.75 -179.43 48.83 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.493 1.121 . . . . 0.0 110.978 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.471 ' HA ' ' SG ' ' A' ' 36' ' ' CYS . 52.5 m -85.41 -5.98 59.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 0.77 . . . . 0.0 110.425 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.452 ' O ' ' HB2' ' A' ' 38' ' ' GLN . 60.4 t -79.64 -35.68 16.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.272 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -62.7 -14.75 47.79 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.134 . . . . 0.0 108.334 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.706 ' SG ' ' HB2' ' A' ' 49' ' ' ALA . 85.0 m -55.84 -68.33 0.21 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 108.303 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -98.22 45.84 1.62 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.437 1.086 . . . . 0.0 111.002 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.929 ' O ' HG23 ' A' ' 10' ' ' THR . 8.1 tp60 -121.28 -36.8 3.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 0.762 . . . . 0.0 110.296 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.427 ' HA ' ' HB2' ' A' ' 11' ' ' CYS . 71.8 m -125.46 -39.43 2.18 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 108.275 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.562 ' CZ ' ' HB2' ' A' ' 21' ' ' TRP . 0.6 OUTLIER -116.3 177.98 4.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 111.023 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.513 ' O ' ' HB ' ' A' ' 44' ' ' VAL . 0.0 OUTLIER -139.94 158.02 44.75 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 110.017 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.696 ' CD2' ' HA ' ' A' ' 43' ' ' PRO . 0.2 OUTLIER -55.05 154.86 9.42 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 110.982 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.696 ' HA ' ' CD2' ' A' ' 42' ' ' PHE . 18.2 Cg_endo -75.01 8.35 10.14 Favored 'Cis proline' 0 C--N 1.36 1.172 0 C-N-CA 121.035 -2.485 . . . . 0.0 110.959 0.004 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.513 ' HB ' ' O ' ' A' ' 41' ' ' SER . 2.1 t -70.91 -38.52 72.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.537 1.148 . . . . 0.0 109.288 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.545 ' HB3' ' N ' ' A' ' 42' ' ' PHE . 0.1 OUTLIER -52.73 -18.42 1.82 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.464 1.103 . . . . 0.0 109.966 -179.945 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.584 ' HB2' ' CE1' ' A' ' 42' ' ' PHE . 0.5 OUTLIER -87.59 -25.01 23.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.531 1.145 . . . . 0.0 110.294 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 47' ' ' SER . . . . . 0.435 ' N ' ' O ' ' A' ' 44' ' ' VAL . 3.9 m -75.19 -37.53 61.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 110.022 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -53.15 -68.16 0.19 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.471 1.107 . . . . 0.0 108.319 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.706 ' HB2' ' SG ' ' A' ' 36' ' ' CYS . . . -55.36 -19.38 8.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.101 . . . . 0.0 109.288 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -78.03 -52.78 5.16 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.507 1.129 . . . . 0.0 111.005 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' MET . . . . . 0.59 ' CB ' ' CZ2' ' A' ' 21' ' ' TRP . 0.0 OUTLIER -85.65 16.89 3.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 0.765 . . . . 0.0 111.011 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.46 1.1 . . . . 0.0 109.334 -179.999 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.303 -0.628 . . . . 0.0 109.303 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -54.25 -29.53 47.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 110.298 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -74.69 -11.22 60.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 109.269 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 5' ' ' PHE . . . . . 0.674 ' CG ' HG21 ' A' ' 44' ' ' VAL . 20.7 m-85 -122.58 17.25 10.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.145 . . . . 0.0 110.998 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 6' ' ' TYR . . . . . 0.516 ' CD2' ' HB3' ' A' ' 17' ' ' SER . 1.1 t80 -78.07 115.71 18.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.115 . . . . 0.0 110.993 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.402 ' O ' ' HB2' ' A' ' 11' ' ' CYS . 69.7 p -98.83 83.85 3.01 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.571 1.169 . . . . 0.0 110.362 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -67.89 -7.65 30.01 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.537 1.148 . . . . 0.0 110.019 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -72.32 -53.98 10.83 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 110.289 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.847 HG23 ' O ' ' A' ' 38' ' ' GLN . 0.1 OUTLIER -90.54 -27.83 18.91 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 110.339 -179.942 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.481 ' SG ' ' CB ' ' A' ' 20' ' ' ALA . 10.9 t -64.18 136.47 96.76 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.125 . . . . 0.0 108.274 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.406 ' HD2' ' SG ' ' A' ' 11' ' ' CYS . 18.3 Cg_endo -74.99 -3.93 14.66 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.546 1.814 . . . . 0.0 111.004 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.41 ' HB2' ' HB2' ' A' ' 20' ' ' ALA . 73.1 m-85 -118.67 163.84 16.24 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 111.034 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.417 ' HD3' ' N ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -155.12 25.19 0.42 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 109.325 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ASN . . . . . 0.549 ' O ' ' CB ' ' A' ' 16' ' ' ASP . 13.0 m-20 -117.37 63.65 0.73 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 109.295 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ASP . . . . . 0.549 ' CB ' ' O ' ' A' ' 15' ' ' ASN . 4.4 t0 85.43 133.93 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.258 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.516 ' HB3' ' CD2' ' A' ' 6' ' ' TYR . 68.6 p -63.88 -27.89 69.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 110.028 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 49.9 mt-30 -64.37 -17.79 64.06 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.537 1.148 . . . . 0.0 110.28 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 64.7 tp -75.76 -62.28 1.64 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.543 1.152 . . . . 0.0 109.348 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.481 ' CB ' ' SG ' ' A' ' 11' ' ' CYS . . . -61.6 -30.96 71.02 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.518 1.137 . . . . 0.0 109.278 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' TRP . . . . . 0.53 ' CE2' ' HB2' ' A' ' 25' ' ' SER . 6.5 t-105 -73.91 -38.98 64.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 107.978 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -66.11 -11.27 47.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 0.0 109.33 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.679 HG22 ' N ' ' A' ' 24' ' ' CYS . 0.8 OUTLIER -86.87 -73.62 0.46 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 110.401 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.679 ' N ' HG22 ' A' ' 23' ' ' THR . 0.0 OUTLIER -67.91 -60.03 2.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 108.282 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.53 ' HB2' ' CE2' ' A' ' 21' ' ' TRP . 0.0 OUTLIER -78.88 52.31 1.23 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.493 1.12 . . . . 0.0 109.995 -179.975 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.951 0 O-C-N 124.489 1.118 . . . . 0.0 111.045 179.992 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.454 -0.261 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.438 ' CB ' ' O ' ' A' ' 24' ' ' CYS . 10.4 p -78.78 137.59 37.81 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.112 . . . . 0.0 108.325 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 173.41 -175.07 46.22 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.515 1.134 . . . . 0.0 111.0 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.421 ' O ' ' SG ' ' A' ' 36' ' ' CYS . 65.3 m -84.9 -4.47 59.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 0.767 . . . . 0.0 110.402 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.433 ' O ' ' HB2' ' A' ' 38' ' ' GLN . 74.1 t -74.2 -44.19 49.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 109.287 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -63.15 -14.7 51.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.553 1.158 . . . . 0.0 108.298 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.549 ' SG ' ' N ' ' A' ' 37' ' ' GLY . 0.5 OUTLIER -54.77 -53.08 59.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 108.34 179.988 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.549 ' N ' ' SG ' ' A' ' 36' ' ' CYS . . . -113.79 41.8 2.11 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.492 1.12 . . . . 0.0 111.013 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.847 ' O ' HG23 ' A' ' 10' ' ' THR . 5.3 tp60 -119.98 -50.09 2.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 0.767 . . . . 0.0 110.311 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.401 ' SG ' ' HD2' ' A' ' 12' ' ' PRO . 87.8 m -111.78 -23.24 10.71 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.491 1.119 . . . . 0.0 108.279 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.425 ' O ' ' O ' ' A' ' 36' ' ' CYS . 0.7 OUTLIER -135.34 -176.17 4.18 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.132 . . . . 0.0 110.94 180.0 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.498 ' C ' ' H ' ' A' ' 45' ' ' SER . 0.9 OUTLIER -150.54 157.13 42.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 110.001 -179.972 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.746 ' CD2' ' HA ' ' A' ' 43' ' ' PRO . 0.2 OUTLIER -54.45 154.61 8.39 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.547 1.155 . . . . 0.0 111.005 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.746 ' HA ' ' CD2' ' A' ' 42' ' ' PHE . 18.4 Cg_endo -75.0 7.92 10.46 Favored 'Cis proline' 0 C--N 1.359 1.126 0 C-N-CA 121.032 -2.487 . . . . 0.0 110.955 0.046 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.674 HG21 ' CG ' ' A' ' 5' ' ' PHE . 2.1 t -70.75 -38.92 74.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 109.322 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.498 ' H ' ' C ' ' A' ' 41' ' ' SER . 0.4 OUTLIER -51.73 -25.42 7.39 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.48 1.112 . . . . 0.0 109.996 -179.974 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.569 ' HB2' ' CE1' ' A' ' 42' ' ' PHE . 1.9 tt0 -74.45 -30.77 62.02 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.514 1.134 . . . . 0.0 110.279 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -76.39 -38.66 55.38 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.538 1.149 . . . . 0.0 109.981 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' CYS . . . . . 0.657 ' O ' ' HB2' ' A' ' 52' ' ' ALA . 0.3 OUTLIER -53.92 -45.35 71.16 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 108.275 -179.971 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -76.08 -22.73 55.29 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.105 . . . . 0.0 109.307 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -76.22 -53.82 5.47 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.549 1.155 . . . . 0.0 111.003 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' MET . . . . . 0.402 ' O ' ' HA ' ' A' ' 25' ' ' SER . 2.2 tpt -86.23 21.64 1.99 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 0.762 . . . . 0.0 111.018 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.657 ' HB2' ' O ' ' A' ' 48' ' ' CYS . . . . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.106 . . . . 0.0 109.312 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -54.33 -28.8 45.1 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.494 1.121 . . . . 0.0 110.297 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 61.8 m-20 -74.6 -11.17 60.13 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 109.358 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' PHE . . . . . 0.58 ' CG ' HG21 ' A' ' 44' ' ' VAL . 14.3 m-85 -123.25 16.95 9.86 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.48 1.113 . . . . 0.0 110.993 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 6' ' ' TYR . . . . . 0.527 ' CD2' ' HB3' ' A' ' 17' ' ' SER . 1.4 t80 -77.86 122.23 25.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 0.0 110.989 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 72.0 p -106.25 86.87 2.43 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.526 1.141 . . . . 0.0 110.418 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.26 -5.59 28.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.144 . . . . 0.0 110.017 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -74.13 -53.07 10.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 110.291 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.826 HG23 ' O ' ' A' ' 38' ' ' GLN . 0.2 OUTLIER -91.86 -27.53 17.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 0.0 110.371 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.471 ' SG ' ' CB ' ' A' ' 20' ' ' ALA . 18.3 t -63.92 136.55 96.78 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.133 . . . . 0.0 108.3 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.411 ' HD2' ' SG ' ' A' ' 11' ' ' CYS . 18.2 Cg_endo -75.03 -1.93 11.88 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.523 1.802 . . . . 0.0 110.987 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.439 ' HB2' ' HB2' ' A' ' 20' ' ' ALA . 98.2 m-85 -117.59 163.83 15.86 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.468 1.105 . . . . 0.0 110.964 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.431 ' HD3' ' N ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -155.67 30.23 0.37 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 109.347 179.969 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ASN . . . . . 0.524 ' O ' ' CB ' ' A' ' 16' ' ' ASP . 18.4 m-20 -128.76 68.88 1.38 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.555 1.16 . . . . 0.0 109.276 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ASP . . . . . 0.524 ' CB ' ' O ' ' A' ' 15' ' ' ASN . 3.7 t0 83.88 132.63 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.482 1.113 . . . . 0.0 109.296 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.527 ' HB3' ' CD2' ' A' ' 6' ' ' TYR . 42.9 p -65.28 -22.91 66.91 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 109.997 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.509 ' O ' ' CB ' ' A' ' 22' ' ' ASP . 40.5 mt-30 -68.6 -23.15 64.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.548 1.155 . . . . 0.0 110.293 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 51.9 tp -69.9 -55.22 10.28 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 109.309 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.471 ' CB ' ' SG ' ' A' ' 11' ' ' CYS . . . -68.92 -31.34 70.16 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.534 1.146 . . . . 0.0 109.287 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' TRP . . . . . 0.442 ' CD2' ' OG ' ' A' ' 25' ' ' SER . 7.3 t-105 -73.52 -45.74 51.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 0.0 108.03 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.509 ' CB ' ' O ' ' A' ' 18' ' ' GLN . 29.2 t0 -67.55 -9.9 46.85 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 109.346 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.466 ' CG2' ' OD1' ' A' ' 30' ' ' ASN . 0.8 OUTLIER -81.96 -54.4 5.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 110.377 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.406 ' O ' ' CB ' ' A' ' 31' ' ' CYS . 0.0 OUTLIER -91.23 -59.03 2.26 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.13 . . . . 0.0 108.332 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.442 ' OG ' ' CD2' ' A' ' 21' ' ' TRP . 0.0 OUTLIER -75.32 54.57 0.73 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 109.992 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 O-C-N 124.468 1.105 . . . . 0.0 111.017 179.973 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ASN . . . . . 0.466 ' OD1' ' CG2' ' A' ' 23' ' ' THR . 2.9 p-10 . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.406 ' CB ' ' O ' ' A' ' 24' ' ' CYS . 15.5 p -69.61 129.9 40.92 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 108.305 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 178.23 -171.35 43.73 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.492 1.12 . . . . 0.0 110.989 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.442 ' HA ' ' SG ' ' A' ' 36' ' ' CYS . 87.2 m -85.25 -5.87 59.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 0.786 . . . . 0.0 110.408 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.487 ' O ' ' HB2' ' A' ' 38' ' ' GLN . 77.7 t -83.26 -34.73 11.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 109.286 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -62.82 -17.22 60.95 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.13 . . . . 0.0 108.265 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.771 ' SG ' ' HB2' ' A' ' 49' ' ' ALA . 72.2 m -54.72 -77.38 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 108.321 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -87.58 48.14 3.7 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.5 1.125 . . . . 0.0 110.992 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.826 ' O ' HG23 ' A' ' 10' ' ' THR . 4.0 tt0 -120.89 -56.08 1.96 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 0.771 . . . . 0.0 110.322 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 70.8 m -111.28 -17.98 13.04 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 0.0 108.292 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.411 ' CZ ' ' HB2' ' A' ' 21' ' ' TRP . 0.8 OUTLIER -135.25 175.83 9.23 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.534 1.147 . . . . 0.0 111.039 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.495 ' C ' ' H ' ' A' ' 45' ' ' SER . 3.1 m -141.33 158.48 43.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.544 1.153 . . . . 0.0 109.99 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.713 ' CD2' ' HA ' ' A' ' 43' ' ' PRO . 0.2 OUTLIER -55.36 154.79 10.87 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 111.021 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.713 ' HA ' ' CD2' ' A' ' 42' ' ' PHE . 18.2 Cg_endo -75.01 7.62 10.74 Favored 'Cis proline' 0 C--N 1.36 1.136 0 C-N-CA 120.989 -2.504 . . . . 0.0 110.981 0.023 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.58 HG21 ' CG ' ' A' ' 5' ' ' PHE . 2.0 t -70.65 -37.9 71.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.314 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.548 ' HB3' ' N ' ' A' ' 42' ' ' PHE . 0.2 OUTLIER -52.48 -18.24 1.59 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.138 . . . . 0.0 109.974 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.592 ' HB2' ' CE1' ' A' ' 42' ' ' PHE . 0.8 OUTLIER -87.54 -25.1 23.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.097 . . . . 0.0 110.28 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 47' ' ' SER . . . . . 0.449 ' N ' ' O ' ' A' ' 44' ' ' VAL . 0.8 OUTLIER -75.31 -38.36 60.31 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.124 . . . . 0.0 110.07 179.969 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -53.53 -66.41 0.4 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.474 1.109 . . . . 0.0 108.298 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.771 ' HB2' ' SG ' ' A' ' 36' ' ' CYS . . . -57.9 -18.21 21.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 109.295 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -78.58 -55.05 4.04 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.564 1.165 . . . . 0.0 111.037 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' MET . . . . . 0.442 ' HB3' ' CB ' ' A' ' 25' ' ' SER . 8.5 tpt -86.45 22.45 1.85 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.477 0.751 . . . . 0.0 111.037 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.123 . . . . 0.0 109.274 179.999 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -53.75 -28.75 36.28 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.462 1.101 . . . . 0.0 110.29 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 27.3 m-20 -74.4 -11.56 60.28 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 109.323 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' PHE . . . . . 0.455 ' CG ' HG21 ' A' ' 44' ' ' VAL . 13.6 m-85 -120.82 18.06 11.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 110.998 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 6' ' ' TYR . . . . . 0.559 ' CG ' ' CB ' ' A' ' 17' ' ' SER . 1.8 t80 -78.02 122.14 25.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.101 . . . . 0.0 110.998 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.414 ' O ' ' OG1' ' A' ' 7' ' ' THR . 9.2 p -109.0 89.13 2.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 110.404 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 36.0 t -75.93 -0.13 20.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 109.976 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -77.37 -41.62 39.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 110.307 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.872 HG23 ' O ' ' A' ' 38' ' ' GLN . 0.8 OUTLIER -107.38 -24.83 11.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 110.362 -179.953 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.417 ' SG ' ' CB ' ' A' ' 20' ' ' ALA . 33.9 t -64.39 136.3 96.7 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 0.0 108.326 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.408 ' HD2' ' SG ' ' A' ' 11' ' ' CYS . 18.4 Cg_endo -74.93 -1.99 11.93 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.478 1.778 . . . . 0.0 111.013 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.48 ' HB2' ' HB2' ' A' ' 20' ' ' ALA . 98.4 m-85 -123.08 148.92 45.09 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.54 1.15 . . . . 0.0 111.015 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.05 29.97 2.77 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.141 . . . . 0.0 109.329 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ASN . . . . . 0.432 ' O ' ' CB ' ' A' ' 16' ' ' ASP . 57.0 m-20 -125.51 74.16 1.38 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 109.278 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ASP . . . . . 0.432 ' CB ' ' O ' ' A' ' 15' ' ' ASN . 0.2 OUTLIER 76.95 126.99 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 109.304 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.559 ' CB ' ' CG ' ' A' ' 6' ' ' TYR . 0.4 OUTLIER -61.94 -21.48 64.82 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.434 1.084 . . . . 0.0 109.986 -180.0 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 22.3 tt0 -70.65 -25.28 62.94 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.462 1.101 . . . . 0.0 110.262 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.431 ' CD2' ' HB2' ' A' ' 15' ' ' ASN . 40.1 tp -66.69 -55.42 15.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 0.0 109.295 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.48 ' HB2' ' HB2' ' A' ' 13' ' ' TYR . . . -63.48 -27.87 69.57 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.486 1.116 . . . . 0.0 109.333 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' TRP . . . . . 0.562 ' HB2' ' CZ ' ' A' ' 40' ' ' PHE . 4.5 t-105 -76.3 -42.14 46.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.576 1.172 . . . . 0.0 107.982 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -64.86 -15.31 61.73 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.443 1.09 . . . . 0.0 109.328 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -83.22 -50.9 7.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 110.339 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.435 ' SG ' ' N ' ' A' ' 25' ' ' SER . 0.0 OUTLIER -87.82 -71.63 0.56 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 108.292 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.529 ' OG ' ' CD2' ' A' ' 21' ' ' TRP . 0.0 OUTLIER -78.49 52.6 1.18 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 110.032 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.037 0 O-C-N 124.449 1.093 . . . . 0.0 110.995 -179.992 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ASN . . . . . 0.41 ' OD1' ' C ' ' A' ' 30' ' ' ASN . 43.9 p30 . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.276 -0.639 . . . . 0.0 109.276 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -57.79 131.42 50.28 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 108.276 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -175.85 -176.62 44.22 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.56 1.162 . . . . 0.0 110.965 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.448 ' HA ' ' SG ' ' A' ' 36' ' ' CYS . 94.7 m -85.41 -6.57 59.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 0.79 . . . . 0.0 110.397 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.477 ' O ' ' HB2' ' A' ' 38' ' ' GLN . 89.0 t -80.87 -34.89 14.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 0.0 109.291 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -62.6 -16.72 57.91 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 0.0 108.328 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.737 ' SG ' ' HB2' ' A' ' 49' ' ' ALA . 70.6 m -55.08 -77.39 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.498 1.124 . . . . 0.0 108.333 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -87.7 49.21 3.82 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.501 1.126 . . . . 0.0 111.042 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.872 ' O ' HG23 ' A' ' 10' ' ' THR . 4.7 tt0 -120.96 -58.58 1.8 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.445 0.732 . . . . 0.0 110.315 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 62.1 m -112.43 -14.25 13.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 108.286 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.562 ' CZ ' ' HB2' ' A' ' 21' ' ' TRP . 1.1 m-85 -135.26 173.85 11.26 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 110.962 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.501 ' O ' ' HB ' ' A' ' 44' ' ' VAL . 2.3 m -141.68 157.28 45.26 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.477 1.11 . . . . 0.0 109.947 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.731 ' CD2' ' HA ' ' A' ' 43' ' ' PRO . 0.2 OUTLIER -54.51 154.36 8.93 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.108 . . . . 0.0 110.975 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.731 ' HA ' ' CD2' ' A' ' 42' ' ' PHE . 18.3 Cg_endo -74.95 7.46 10.75 Favored 'Cis proline' 0 C--N 1.36 1.178 0 C-N-CA 120.977 -2.51 . . . . 0.0 110.989 -0.06 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.501 ' HB ' ' O ' ' A' ' 41' ' ' SER . 2.1 t -70.09 -37.88 73.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 109.325 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.528 ' HB3' ' N ' ' A' ' 42' ' ' PHE . 0.2 OUTLIER -52.16 -17.88 1.27 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.559 1.162 . . . . 0.0 110.005 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.603 ' HB2' ' CE1' ' A' ' 42' ' ' PHE . 27.8 tp60 -87.29 -29.9 21.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.449 1.093 . . . . 0.0 110.328 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' SER . . . . . 0.413 ' N ' ' O ' ' A' ' 44' ' ' VAL . 2.9 t -70.62 -37.68 73.86 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.568 1.167 . . . . 0.0 109.97 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' CYS . . . . . 0.401 ' SG ' ' N ' ' A' ' 36' ' ' CYS . 0.5 OUTLIER -54.05 -67.56 0.25 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.442 1.089 . . . . 0.0 108.261 -179.964 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.737 ' HB2' ' SG ' ' A' ' 36' ' ' CYS . . . -57.45 -17.88 15.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 109.331 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -79.19 -55.12 3.83 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.509 1.13 . . . . 0.0 111.029 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' MET . . . . . 0.431 ' HB3' ' CB ' ' A' ' 25' ' ' SER . 0.0 OUTLIER -85.46 15.7 4.31 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 0.762 . . . . 0.0 110.999 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.297 -179.962 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -54.2 -29.88 47.71 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.531 1.145 . . . . 0.0 110.296 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -74.42 -14.69 60.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 109.309 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 5' ' ' PHE . . . . . 0.636 ' CG ' HG21 ' A' ' 44' ' ' VAL . 17.1 m-85 -118.69 18.18 13.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 111.014 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 6' ' ' TYR . . . . . 0.542 ' CG ' ' HB3' ' A' ' 17' ' ' SER . 4.7 t80 -78.09 126.25 30.54 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 111.021 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.414 ' O ' ' HB2' ' A' ' 11' ' ' CYS . 56.4 p -109.08 84.02 1.85 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.111 . . . . 0.0 110.392 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 22.9 t -70.37 -4.44 22.32 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.462 1.101 . . . . 0.0 110.004 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.77 -50.29 17.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.109 . . . . 0.0 110.306 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.912 HG23 ' O ' ' A' ' 38' ' ' GLN . 0.0 OUTLIER -96.08 -25.62 15.82 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 0.0 110.415 179.974 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.421 ' SG ' ' CB ' ' A' ' 20' ' ' ALA . 16.8 t -63.75 136.28 96.65 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.532 1.145 . . . . 0.0 108.319 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.403 ' HD2' ' SG ' ' A' ' 11' ' ' CYS . 18.2 Cg_endo -74.97 -6.4 18.03 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.497 1.788 . . . . 0.0 111.009 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.457 ' HB3' HD23 ' A' ' 19' ' ' LEU . 68.9 m-85 -118.69 146.7 44.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.138 . . . . 0.0 111.011 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.54 35.07 2.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.105 . . . . 0.0 109.298 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ASN . . . . . 0.614 ' HB2' HD22 ' A' ' 19' ' ' LEU . 13.8 m-20 -126.56 63.46 1.28 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.444 1.09 . . . . 0.0 109.286 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ASP . . . . . 0.556 ' CB ' ' O ' ' A' ' 15' ' ' ASN . 3.5 t70 86.06 145.25 0.06 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.132 . . . . 0.0 109.28 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.542 ' HB3' ' CG ' ' A' ' 6' ' ' TYR . 85.1 p -73.15 -31.83 64.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.135 . . . . 0.0 109.981 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.517 ' O ' ' CB ' ' A' ' 22' ' ' ASP . 80.9 mt-30 -63.8 -16.94 62.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 110.28 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.614 HD22 ' HB2' ' A' ' 15' ' ' ASN . 24.9 tp -73.7 -59.69 2.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.314 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.449 ' HB2' ' HB2' ' A' ' 13' ' ' TYR . . . -66.9 -26.58 66.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 109.288 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' TRP . . . . . 0.59 ' CE3' ' OG ' ' A' ' 25' ' ' SER . 5.0 t-105 -78.19 -41.96 32.94 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.122 . . . . 0.0 108.018 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.517 ' CB ' ' O ' ' A' ' 18' ' ' GLN . 3.1 t70 -64.47 -13.2 50.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.541 1.151 . . . . 0.0 109.314 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -98.85 -59.92 1.64 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 110.376 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.533 ' SG ' ' N ' ' A' ' 25' ' ' SER . 0.4 OUTLIER -66.59 -54.1 27.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 108.309 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.59 ' OG ' ' CE3' ' A' ' 21' ' ' TRP . 0.0 OUTLIER -93.6 54.5 2.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.135 . . . . 0.0 110.059 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.017 0 O-C-N 124.5 1.125 . . . . 0.0 110.99 -179.932 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.33 -0.618 . . . . 0.0 109.33 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.623 ' HB2' ' HB1' ' A' ' 52' ' ' ALA . 21.5 p -85.1 150.08 25.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 108.375 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 162.94 179.88 37.76 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.544 1.153 . . . . 0.0 111.005 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.401 ' O ' ' SG ' ' A' ' 36' ' ' CYS . 98.9 m -85.01 -5.17 59.36 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.554 0.796 . . . . 0.0 110.43 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.439 ' O ' ' HB2' ' A' ' 38' ' ' GLN . 91.3 t -74.68 -41.1 47.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 109.272 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -63.15 -14.98 55.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 108.292 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.537 ' SG ' ' N ' ' A' ' 37' ' ' GLY . 0.7 OUTLIER -53.64 -52.75 58.9 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.114 . . . . 0.0 108.319 179.974 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.537 ' N ' ' SG ' ' A' ' 36' ' ' CYS . . . -114.88 41.39 2.18 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.505 1.128 . . . . 0.0 110.986 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.912 ' O ' HG23 ' A' ' 10' ' ' THR . 2.9 tp60 -120.29 -49.58 2.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.459 0.741 . . . . 0.0 110.327 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 68.9 m -112.46 -23.06 10.51 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 0.0 108.314 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.569 ' CZ ' ' HB2' ' A' ' 21' ' ' TRP . 0.8 OUTLIER -135.44 -175.12 3.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 0.0 110.991 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.499 ' O ' ' HB ' ' A' ' 44' ' ' VAL . 0.3 OUTLIER -151.48 157.08 41.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 109.992 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.699 ' CG ' ' HA ' ' A' ' 43' ' ' PRO . 0.2 OUTLIER -54.91 155.1 8.65 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.148 . . . . 0.0 110.97 -179.966 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.699 ' HA ' ' CG ' ' A' ' 42' ' ' PHE . 18.2 Cg_endo -74.96 8.28 10.1 Favored 'Cis proline' 0 C--N 1.361 1.193 0 C-N-CA 121.036 -2.485 . . . . 0.0 111.023 -0.057 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.636 HG21 ' CG ' ' A' ' 5' ' ' PHE . 2.1 t -70.97 -38.43 72.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.12 . . . . 0.0 109.319 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.54 ' HB3' ' N ' ' A' ' 42' ' ' PHE . 0.1 OUTLIER -51.18 -21.15 1.85 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.115 . . . . 0.0 110.001 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.579 ' HB2' ' CE1' ' A' ' 42' ' ' PHE . 1.1 tt0 -80.8 -29.98 35.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 110.301 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' SER . . . . . 0.436 ' N ' ' O ' ' A' ' 44' ' ' VAL . 0.5 OUTLIER -75.81 -36.34 59.76 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.494 1.122 . . . . 0.0 110.011 179.985 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -54.92 -61.0 2.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 108.259 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.88 -12.95 58.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 109.282 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -83.01 -53.84 3.37 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.467 1.104 . . . . 0.0 111.021 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 8.1 tpt -86.28 20.35 2.41 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.521 0.777 . . . . 0.0 111.027 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.623 ' HB1' ' HB2' ' A' ' 31' ' ' CYS . . . . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 109.321 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -53.75 -29.69 40.91 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.521 1.138 . . . . 0.0 110.307 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -74.61 -13.63 60.67 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.506 1.128 . . . . 0.0 109.324 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' PHE . . . . . 0.669 ' CG ' HG21 ' A' ' 44' ' ' VAL . 14.7 m-85 -119.93 20.18 12.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 110.968 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 6' ' ' TYR . . . . . 0.53 ' CG ' ' HB3' ' A' ' 17' ' ' SER . 2.3 t80 -78.36 121.91 25.09 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.499 1.124 . . . . 0.0 110.987 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.414 ' O ' ' HB2' ' A' ' 11' ' ' CYS . 44.6 p -105.88 85.32 2.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 110.461 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.3 t -72.09 -2.68 19.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 109.944 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -75.8 -48.74 20.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.461 1.101 . . . . 0.0 110.317 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.909 HG23 ' O ' ' A' ' 38' ' ' GLN . 0.0 OUTLIER -98.81 -25.19 14.72 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.128 . . . . 0.0 110.395 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.454 ' SG ' ' HD2' ' A' ' 12' ' ' PRO . 20.2 t -63.72 137.43 97.09 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 108.299 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.478 ' HG2' ' CE2' ' A' ' 13' ' ' TYR . 18.2 Cg_endo -75.01 -3.82 14.5 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.478 1.778 . . . . 0.0 110.966 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.612 ' HB3' HD12 ' A' ' 19' ' ' LEU . 66.9 m-85 -127.72 138.73 52.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 110.966 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.83 29.99 4.38 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.514 1.134 . . . . 0.0 109.314 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -95.88 -42.27 8.4 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.45 1.094 . . . . 0.0 109.331 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -165.24 149.26 8.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.444 1.09 . . . . 0.0 109.326 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.53 ' HB3' ' CG ' ' A' ' 6' ' ' TYR . 15.8 p -69.33 -36.91 77.42 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.483 1.114 . . . . 0.0 109.998 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 3.6 mt-30 -71.52 -23.4 61.77 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 110.296 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.776 HD13 ' N ' ' A' ' 20' ' ' ALA . 0.4 OUTLIER -64.0 -60.34 3.37 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.457 1.098 . . . . 0.0 109.295 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.776 ' N ' HD13 ' A' ' 19' ' ' LEU . . . -59.74 -34.53 73.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.551 1.157 . . . . 0.0 109.339 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' TRP . . . . . 0.582 ' HB2' ' CZ ' ' A' ' 40' ' ' PHE . 1.8 t-105 -68.97 -40.46 78.83 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 107.938 -1.134 . . . . 0.0 107.938 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -64.3 -13.42 49.83 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.139 . . . . 0.0 109.277 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.409 HG23 ' OD1' ' A' ' 30' ' ' ASN . 0.7 OUTLIER -87.27 -55.09 3.96 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 110.416 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.455 ' SG ' ' N ' ' A' ' 25' ' ' SER . 0.0 OUTLIER -81.77 -68.8 0.66 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 108.318 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.529 ' HB2' ' CE2' ' A' ' 21' ' ' TRP . 0.0 OUTLIER -80.83 51.16 1.47 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 109.988 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.025 0 O-C-N 124.545 1.153 . . . . 0.0 110.961 -179.971 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ASN . . . . . 0.409 ' OD1' HG23 ' A' ' 23' ' ' THR . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 . . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.413 ' CB ' ' O ' ' A' ' 24' ' ' CYS . 1.5 p -69.26 150.81 47.0 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.502 1.126 . . . . 0.0 108.317 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 152.28 176.33 24.82 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.546 1.154 . . . . 0.0 110.996 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.402 ' O ' ' SG ' ' A' ' 36' ' ' CYS . 89.5 m -72.96 -3.45 26.03 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.494 0.761 . . . . 0.0 110.351 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.433 ' O ' ' HB2' ' A' ' 38' ' ' GLN . 60.7 t -70.09 -53.0 25.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.118 . . . . 0.0 109.29 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -62.04 -16.67 53.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 108.286 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.478 ' SG ' ' N ' ' A' ' 37' ' ' GLY . 0.3 OUTLIER -55.37 -51.27 67.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.558 1.161 . . . . 0.0 108.333 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.478 ' N ' ' SG ' ' A' ' 36' ' ' CYS . . . -116.0 42.55 1.86 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.496 1.122 . . . . 0.0 111.004 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.909 ' O ' HG23 ' A' ' 10' ' ' THR . 10.8 tt0 -120.91 -53.25 2.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 0.751 . . . . 0.0 110.276 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.4 ' HA ' ' HB2' ' A' ' 11' ' ' CYS . 85.3 m -111.25 -18.39 12.96 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.54 1.15 . . . . 0.0 108.273 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.582 ' CZ ' ' HB2' ' A' ' 21' ' ' TRP . 1.5 m-85 -135.87 177.53 7.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.142 . . . . 0.0 110.974 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.527 ' O ' ' HB ' ' A' ' 44' ' ' VAL . 1.0 OUTLIER -148.72 156.33 42.23 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.475 1.11 . . . . 0.0 109.961 -179.952 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.689 ' CG ' ' HA ' ' A' ' 43' ' ' PRO . 0.2 OUTLIER -53.12 154.38 5.53 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.555 1.159 . . . . 0.0 111.009 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.689 ' HA ' ' CG ' ' A' ' 42' ' ' PHE . 18.3 Cg_endo -75.0 9.95 8.97 Favored 'Cis proline' 0 C--N 1.36 1.182 0 C-N-CA 120.983 -2.507 . . . . 0.0 111.021 -0.027 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.669 HG21 ' CG ' ' A' ' 5' ' ' PHE . 2.4 t -70.94 -39.79 75.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.138 . . . . 0.0 109.255 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.49 ' HB3' ' N ' ' A' ' 42' ' ' PHE . 0.1 OUTLIER -51.6 -19.8 1.69 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 0.0 110.035 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.576 ' HB2' ' CE1' ' A' ' 42' ' ' PHE . 0.8 OUTLIER -78.22 -31.51 49.38 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 110.31 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 3.6 m -76.64 -42.65 41.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.452 1.095 . . . . 0.0 109.975 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' CYS . . . . . 0.509 ' O ' ' HB2' ' A' ' 52' ' ' ALA . 1.2 t -54.5 -59.3 4.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 108.313 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.66 -13.49 59.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.319 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -84.66 -53.35 3.24 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.497 1.123 . . . . 0.0 111.006 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 4.0 tpp -85.63 15.41 4.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 0.765 . . . . 0.0 110.998 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.509 ' HB2' ' O ' ' A' ' 48' ' ' CYS . . . . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.452 1.095 . . . . 0.0 109.306 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.95 -30.65 47.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 110.296 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -74.24 -4.58 36.91 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.139 . . . . 0.0 109.285 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' PHE . . . . . 0.479 ' CG ' HG21 ' A' ' 44' ' ' VAL . 14.5 m-85 -127.88 14.09 6.87 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 0.0 111.001 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 6' ' ' TYR . . . . . 0.55 ' CG ' ' HB3' ' A' ' 17' ' ' SER . 4.7 t80 -78.63 129.4 34.71 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.514 1.134 . . . . 0.0 111.03 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 22.1 p -116.19 91.67 3.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 110.417 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -73.81 -2.24 22.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 109.983 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -76.47 -42.81 42.38 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 110.279 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.867 HG23 ' O ' ' A' ' 38' ' ' GLN . 10.1 t -103.04 -26.44 13.06 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 110.397 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.403 ' SG ' ' HD2' ' A' ' 12' ' ' PRO . 16.1 t -63.81 136.18 96.61 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 108.283 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.403 ' HD2' ' SG ' ' A' ' 11' ' ' CYS . 18.3 Cg_endo -75.0 -21.19 16.11 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.524 1.802 . . . . 0.0 111.041 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.535 ' HB2' ' HB2' ' A' ' 20' ' ' ALA . 85.2 m-85 -103.54 178.53 4.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.141 . . . . 0.0 110.996 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.498 ' O ' HD23 ' A' ' 19' ' ' LEU . 0.7 OUTLIER -155.39 -155.26 0.55 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 109.265 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ASN . . . . . 0.452 ' N ' ' HD2' ' A' ' 14' ' ' LYS . 1.4 t30 77.03 -63.14 0.38 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.547 1.154 . . . . 0.0 109.299 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -149.31 163.2 38.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 109.335 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.55 ' HB3' ' CG ' ' A' ' 6' ' ' TYR . 77.4 p -81.12 -29.2 34.87 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.111 . . . . 0.0 109.97 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 28.1 tt0 -66.01 -16.92 64.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.415 1.072 . . . . 0.0 110.333 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.498 HD23 ' O ' ' A' ' 14' ' ' LYS . 26.2 tp -72.32 -64.68 0.9 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.434 1.083 . . . . 0.0 109.322 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.535 ' HB2' ' HB2' ' A' ' 13' ' ' TYR . . . -59.23 -27.26 65.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.539 1.15 . . . . 0.0 109.31 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' TRP . . . . . 0.587 ' CZ2' ' CB ' ' A' ' 51' ' ' MET . 10.2 t-105 -71.21 -40.54 71.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.13 . . . . 0.0 107.989 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -68.76 -17.04 63.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 109.297 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -75.05 -55.73 5.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 110.416 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.426 ' CB ' ' HA ' ' A' ' 31' ' ' CYS . 0.0 OUTLIER -91.09 -66.99 0.88 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 108.322 179.958 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.533 ' HB2' ' CE2' ' A' ' 21' ' ' TRP . 0.1 OUTLIER -76.98 53.43 0.94 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.127 . . . . 0.0 110.032 179.975 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.027 0 O-C-N 124.514 1.134 . . . . 0.0 110.975 -179.939 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 30.8 p30 . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.426 ' HA ' ' CB ' ' A' ' 24' ' ' CYS . 0.6 OUTLIER -55.63 146.87 19.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.148 . . . . 0.0 108.268 -179.951 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 164.49 -176.41 40.38 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.457 1.098 . . . . 0.0 110.993 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.427 ' HA ' ' SG ' ' A' ' 36' ' ' CYS . 92.4 m -84.93 -6.25 59.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 0.765 . . . . 0.0 110.377 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.549 ' CG1' ' NE2' ' A' ' 38' ' ' GLN . 25.2 t -83.68 -33.34 9.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.507 1.13 . . . . 0.0 109.304 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -62.39 -19.94 63.93 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.542 1.151 . . . . 0.0 108.311 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.71 ' SG ' ' HB2' ' A' ' 49' ' ' ALA . 59.2 m -54.23 -76.83 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.558 1.161 . . . . 0.0 108.327 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -85.24 45.99 3.6 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.481 1.113 . . . . 0.0 111.061 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.867 ' O ' HG23 ' A' ' 10' ' ' THR . 0.4 OUTLIER -120.31 -35.73 3.37 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.52 0.777 . . . . 0.0 110.25 -179.945 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 70.8 m -130.01 -43.95 1.19 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.103 . . . . 0.0 108.271 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.526 ' CZ ' ' HB2' ' A' ' 21' ' ' TRP . 0.4 OUTLIER -110.06 175.9 5.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.15 . . . . 0.0 111.005 -179.961 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.519 ' C ' ' H ' ' A' ' 45' ' ' SER . 0.7 OUTLIER -139.35 159.3 42.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 110.025 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.739 ' CD2' ' HA ' ' A' ' 43' ' ' PRO . 0.2 OUTLIER -54.13 154.22 8.19 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.138 . . . . 0.0 111.013 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.739 ' HA ' ' CD2' ' A' ' 42' ' ' PHE . 18.2 Cg_endo -75.03 6.37 11.81 Favored 'Cis proline' 0 C--N 1.361 1.187 0 C-N-CA 120.924 -2.532 . . . . 0.0 111.023 -0.029 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.479 HG21 ' CG ' ' A' ' 5' ' ' PHE . 2.2 t -70.12 -37.9 73.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.553 1.158 . . . . 0.0 109.286 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.519 ' H ' ' C ' ' A' ' 41' ' ' SER . 0.9 OUTLIER -52.61 -19.0 2.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 109.974 -179.959 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.601 ' HB2' ' CE1' ' A' ' 42' ' ' PHE . 0.5 OUTLIER -87.21 -24.05 24.56 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 0.0 110.287 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 47' ' ' SER . . . . . 0.452 ' N ' ' O ' ' A' ' 44' ' ' VAL . 8.7 m -75.52 -38.02 59.7 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.104 . . . . 0.0 110.036 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' CYS . . . . . 0.435 ' SG ' ' N ' ' A' ' 36' ' ' CYS . 0.1 OUTLIER -53.6 -63.54 1.12 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.45 1.094 . . . . 0.0 108.288 179.973 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.71 ' HB2' ' SG ' ' A' ' 36' ' ' CYS . . . -60.53 -15.15 24.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.562 1.163 . . . . 0.0 109.28 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -82.51 -53.48 3.59 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.498 1.124 . . . . 0.0 110.957 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' MET . . . . . 0.587 ' CB ' ' CZ2' ' A' ' 21' ' ' TRP . 1.7 tpt -85.3 13.19 6.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 0.762 . . . . 0.0 110.989 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 109.243 -179.951 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 1.5 pt . . . . . 0 N--CA 1.452 -0.34 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.99 -27.03 28.99 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.141 . . . . 0.0 110.29 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -74.38 -10.11 59.26 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.47 1.107 . . . . 0.0 109.27 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 5' ' ' PHE . . . . . 0.492 ' CG ' HG21 ' A' ' 44' ' ' VAL . 20.7 m-85 -122.14 14.82 10.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 110.996 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 6' ' ' TYR . . . . . 0.565 ' CG ' ' HB2' ' A' ' 17' ' ' SER . 3.8 t80 -77.74 122.24 25.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 111.05 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 8.6 p -107.87 91.24 3.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 110.403 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -72.78 -3.09 23.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 110.0 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -76.34 -47.73 22.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 110.303 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.888 HG23 ' O ' ' A' ' 38' ' ' GLN . 0.5 OUTLIER -96.8 -25.41 15.5 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.519 1.137 . . . . 0.0 110.422 179.967 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.435 ' SG ' ' HD2' ' A' ' 12' ' ' PRO . 22.3 t -64.24 136.99 96.98 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 108.287 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.435 ' HD2' ' SG ' ' A' ' 11' ' ' CYS . 18.2 Cg_endo -75.05 -23.97 13.2 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.491 1.785 . . . . 0.0 110.994 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 64.5 m-85 -109.72 177.1 4.83 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.518 1.136 . . . . 0.0 111.009 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.435 ' HG2' ' N ' ' A' ' 15' ' ' ASN . 0.0 OUTLIER -152.05 -142.95 0.13 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.567 1.167 . . . . 0.0 109.303 -179.998 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ASN . . . . . 0.435 ' N ' ' HG2' ' A' ' 14' ' ' LYS . 1.0 OUTLIER 73.18 -63.88 0.42 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.493 1.121 . . . . 0.0 109.303 179.965 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -149.26 156.34 41.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 109.277 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.565 ' HB2' ' CG ' ' A' ' 6' ' ' TYR . 11.4 t -75.61 -30.77 59.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.435 1.085 . . . . 0.0 109.949 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -64.64 -16.92 63.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 110.334 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 36.7 tp -73.14 -65.9 0.75 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.471 1.107 . . . . 0.0 109.3 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -59.25 -24.62 63.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.453 1.096 . . . . 0.0 109.264 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' TRP . . . . . 0.509 ' CD2' ' OG ' ' A' ' 25' ' ' SER . 7.9 t-105 -75.29 -50.03 17.33 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.504 1.127 . . . . 0.0 108.022 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.429 ' OD1' ' O ' ' A' ' 22' ' ' ASP . 46.8 t0 -63.63 -12.91 37.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 109.29 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -78.15 -54.87 5.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 110.417 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -85.36 -58.3 2.73 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.484 1.115 . . . . 0.0 108.336 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.509 ' OG ' ' CD2' ' A' ' 21' ' ' TRP . 76.8 p -76.24 51.89 0.72 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.996 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.03 0 O-C-N 124.555 1.16 . . . . 0.0 110.985 179.993 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 2.1 p30 . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -54.81 150.49 9.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.548 1.155 . . . . 0.0 108.284 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 156.13 -170.51 33.83 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.502 1.126 . . . . 0.0 111.023 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.441 ' HA ' ' SG ' ' A' ' 36' ' ' CYS . 91.4 m -85.38 -6.3 59.24 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 0.788 . . . . 0.0 110.373 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.496 ' O ' ' HB2' ' A' ' 38' ' ' GLN . 81.6 t -82.04 -34.05 12.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.545 1.153 . . . . 0.0 109.27 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -63.48 -21.36 66.27 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.454 1.096 . . . . 0.0 108.337 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.828 ' SG ' ' HB2' ' A' ' 49' ' ' ALA . 64.4 m -54.51 -78.46 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.476 1.11 . . . . 0.0 108.27 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -85.77 49.62 4.18 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.518 1.136 . . . . 0.0 110.986 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.888 ' O ' HG23 ' A' ' 10' ' ' THR . 0.8 OUTLIER -120.02 -59.74 1.76 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 0.741 . . . . 0.0 110.262 179.979 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 62.7 m -112.54 -13.99 13.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 108.32 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.401 ' HA ' ' O ' ' A' ' 5' ' ' PHE . 0.8 OUTLIER -134.75 174.48 10.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.125 . . . . 0.0 111.026 179.975 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.498 ' O ' ' HB ' ' A' ' 44' ' ' VAL . 3.1 m -142.53 158.03 44.11 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.552 1.158 . . . . 0.0 110.019 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.748 ' CD2' ' HA ' ' A' ' 43' ' ' PRO . 0.2 OUTLIER -54.52 154.6 8.56 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.147 . . . . 0.0 111.048 179.956 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.748 ' HA ' ' CD2' ' A' ' 42' ' ' PHE . 18.1 Cg_endo -75.05 6.88 11.47 Favored 'Cis proline' 0 C--N 1.359 1.127 0 C-N-CA 121.007 -2.497 . . . . 0.0 110.953 0.055 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.498 ' HB ' ' O ' ' A' ' 41' ' ' SER . 2.2 t -69.95 -37.88 73.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.434 1.084 . . . . 0.0 109.272 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.542 ' HB3' ' N ' ' A' ' 42' ' ' PHE . 0.2 OUTLIER -51.89 -18.07 1.19 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.11 . . . . 0.0 110.001 -179.984 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.604 ' HB2' ' CE1' ' A' ' 42' ' ' PHE . 49.2 tp60 -87.28 -29.41 21.66 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.464 1.102 . . . . 0.0 110.293 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' SER . . . . . 0.425 ' N ' ' O ' ' A' ' 44' ' ' VAL . 4.2 t -70.81 -39.0 73.33 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.476 1.11 . . . . 0.0 109.976 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' CYS . . . . . 0.418 ' SG ' ' N ' ' A' ' 36' ' ' CYS . 0.1 OUTLIER -53.62 -69.42 0.12 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 108.286 179.979 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.828 ' HB2' ' SG ' ' A' ' 36' ' ' CYS . . . -58.06 -17.64 19.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 109.284 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -76.69 -63.27 2.36 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.449 1.093 . . . . 0.0 110.995 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' MET . . . . . 0.467 ' O ' ' HG3' ' A' ' 51' ' ' MET . 29.0 tpp -74.52 -2.57 26.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 0.763 . . . . 0.0 110.938 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.416 ' HB2' ' O ' ' A' ' 48' ' ' CYS . . . . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.47 1.106 . . . . 0.0 109.29 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.452 -0.334 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -55.15 -29.41 57.7 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 110.311 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -74.58 -3.52 31.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 109.333 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 11.6 m-85 -128.99 19.3 6.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 111.055 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' TYR . . . . . 0.508 ' CG ' ' HB3' ' A' ' 17' ' ' SER . 3.0 t80 -78.31 116.32 18.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.099 . . . . 0.0 111.033 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.404 ' O ' ' HB2' ' A' ' 11' ' ' CYS . 7.7 p -102.83 90.04 3.66 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 110.399 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 23.1 t -75.18 0.13 17.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.458 1.099 . . . . 0.0 110.017 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -77.86 -43.23 30.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 110.294 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.978 HG23 ' O ' ' A' ' 38' ' ' GLN . 0.1 OUTLIER -105.52 -23.46 12.79 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 110.402 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.478 ' SG ' ' HD2' ' A' ' 12' ' ' PRO . 31.0 t -64.24 138.21 97.35 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 108.308 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.558 ' HG2' ' CE2' ' A' ' 13' ' ' TYR . 18.3 Cg_endo -75.07 -14.87 20.86 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.5 1.789 . . . . 0.0 111.009 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.558 ' CE2' ' HG2' ' A' ' 12' ' ' PRO . 26.3 m-85 -112.46 145.82 39.52 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.474 1.109 . . . . 0.0 110.995 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.444 ' HD3' ' N ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -135.78 31.16 3.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 109.279 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -100.43 -45.63 5.5 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.128 . . . . 0.0 109.306 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -165.48 154.49 12.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 109.306 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.508 ' HB3' ' CG ' ' A' ' 6' ' ' TYR . 78.4 p -73.41 -34.52 65.54 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 110.016 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -72.5 -26.07 61.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 110.273 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.902 HD13 ' N ' ' A' ' 20' ' ' ALA . 0.3 OUTLIER -63.89 -59.91 3.93 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 109.311 -179.965 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.902 ' N ' HD13 ' A' ' 19' ' ' LEU . . . -59.74 -33.23 71.39 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 0.0 109.343 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' TRP . . . . . 0.537 ' CE2' ' HB2' ' A' ' 25' ' ' SER . 4.6 t-105 -67.47 -38.18 84.01 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -65.25 -12.85 55.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 0.0 109.242 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.581 HG22 ' N ' ' A' ' 24' ' ' CYS . 0.8 OUTLIER -90.13 -69.65 0.71 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 110.376 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.581 ' N ' HG22 ' A' ' 23' ' ' THR . 0.0 OUTLIER -67.0 -65.01 0.73 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 108.324 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.537 ' HB2' ' CE2' ' A' ' 21' ' ' TRP . 0.0 OUTLIER -78.24 53.31 1.22 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 110.007 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.994 0 O-C-N 124.466 1.104 . . . . 0.0 111.021 -179.974 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 1.1 p-10 . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.497 ' CB ' ' O ' ' A' ' 24' ' ' CYS . 11.6 p -84.61 138.28 32.8 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.539 1.149 . . . . 0.0 108.309 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 174.54 -178.32 46.38 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.522 1.139 . . . . 0.0 110.977 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.407 ' O ' ' SG ' ' A' ' 36' ' ' CYS . 96.4 m -83.04 -4.87 58.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 0.748 . . . . 0.0 110.44 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.404 ' O ' ' HB2' ' A' ' 38' ' ' GLN . 71.9 t -74.97 -41.35 45.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.522 1.139 . . . . 0.0 109.299 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -63.79 -13.53 45.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 108.329 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.537 ' SG ' ' N ' ' A' ' 37' ' ' GLY . 0.7 OUTLIER -54.64 -52.58 61.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.117 . . . . 0.0 108.274 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.537 ' N ' ' SG ' ' A' ' 36' ' ' CYS . . . -113.84 39.14 2.92 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.491 1.12 . . . . 0.0 110.96 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.978 ' O ' HG23 ' A' ' 10' ' ' THR . 18.4 tp60 -120.68 -45.99 2.38 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.53 0.783 . . . . 0.0 110.282 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.61 ' HB3' ' CE1' ' A' ' 40' ' ' PHE . 0.5 OUTLIER -111.99 -26.73 8.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 108.294 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.61 ' CE1' ' HB3' ' A' ' 39' ' ' CYS . 0.6 OUTLIER -135.55 -172.83 3.18 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.534 1.146 . . . . 0.0 111.013 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.51 ' O ' ' HB ' ' A' ' 44' ' ' VAL . 0.0 OUTLIER -150.93 157.06 42.43 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 110.016 -179.957 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.711 ' CG ' ' HA ' ' A' ' 43' ' ' PRO . 0.2 OUTLIER -55.65 155.49 10.7 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 111.001 -179.991 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.711 ' HA ' ' CG ' ' A' ' 42' ' ' PHE . 18.3 Cg_endo -74.99 8.44 10.03 Favored 'Cis proline' 0 C--N 1.36 1.134 0 C-N-CA 120.997 -2.501 . . . . 0.0 111.055 -0.022 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.51 ' HB ' ' O ' ' A' ' 41' ' ' SER . 2.1 t -71.15 -38.73 72.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 109.27 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.542 ' HB3' ' N ' ' A' ' 42' ' ' PHE . 0.1 OUTLIER -51.09 -21.81 2.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.447 1.092 . . . . 0.0 109.988 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.571 ' HB2' ' CE1' ' A' ' 42' ' ' PHE . 2.1 tt0 -77.65 -31.58 52.75 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.545 1.153 . . . . 0.0 110.279 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' SER . . . . . 0.417 ' N ' ' O ' ' A' ' 44' ' ' VAL . 1.4 m -76.83 -37.58 55.4 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 0.0 109.975 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' CYS . . . . . 0.43 ' O ' ' HB2' ' A' ' 52' ' ' ALA . 0.1 OUTLIER -53.94 -50.22 66.95 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.543 1.152 . . . . 0.0 108.273 -179.976 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -72.31 -23.03 61.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.546 1.154 . . . . 0.0 109.297 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -74.51 -52.5 7.35 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.51 1.131 . . . . 0.0 111.034 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' MET . . . . . 0.455 ' CB ' ' CZ2' ' A' ' 21' ' ' TRP . 9.1 tpt -86.55 22.6 1.84 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 0.782 . . . . 0.0 111.042 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.43 ' HB2' ' O ' ' A' ' 48' ' ' CYS . . . . . . . . 0 C--N 1.326 -0.447 0 O-C-N 124.492 1.12 . . . . 0.0 109.278 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -54.19 -29.24 45.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 110.317 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -74.44 -9.54 58.69 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.545 1.153 . . . . 0.0 109.331 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 20.5 m-85 -124.74 20.84 8.46 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.433 1.083 . . . . 0.0 111.011 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' TYR . . . . . 0.455 ' CG ' ' HB3' ' A' ' 17' ' ' SER . 3.3 t80 -78.72 118.89 21.22 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.496 1.123 . . . . 0.0 110.966 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.423 ' O ' ' HB2' ' A' ' 11' ' ' CYS . 69.9 p -104.2 87.44 2.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 110.431 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 14.3 t -72.23 -2.1 17.64 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.51 1.131 . . . . 0.0 109.999 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -77.66 -49.47 14.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.458 1.099 . . . . 0.0 110.314 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.97 HG23 ' O ' ' A' ' 38' ' ' GLN . 0.6 OUTLIER -97.82 -23.96 15.64 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.123 . . . . 0.0 110.402 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.45 ' SG ' ' HD2' ' A' ' 12' ' ' PRO . 36.8 t -63.82 137.65 97.16 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.117 . . . . 0.0 108.305 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.45 ' HD2' ' SG ' ' A' ' 11' ' ' CYS . 18.4 Cg_endo -74.99 -8.85 20.45 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.494 1.786 . . . . 0.0 111.025 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.407 ' CD2' ' HB2' ' A' ' 20' ' ' ALA . 90.7 m-85 -113.46 149.4 34.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.56 1.162 . . . . 0.0 110.989 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.459 ' HD3' ' N ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -137.22 32.22 2.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 109.309 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ASN . . . . . 0.566 ' HB3' HD22 ' A' ' 19' ' ' LEU . 19.3 t-20 -102.76 -53.04 2.94 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 109.322 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -165.63 164.03 19.18 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.489 1.118 . . . . 0.0 109.289 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.455 ' HB3' ' CG ' ' A' ' 6' ' ' TYR . 58.7 p -77.83 -27.47 49.97 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.464 1.102 . . . . 0.0 110.007 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.436 ' O ' ' N ' ' A' ' 22' ' ' ASP . 52.7 mt-30 -73.59 -29.86 62.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.446 1.091 . . . . 0.0 110.298 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.566 HD22 ' HB3' ' A' ' 15' ' ' ASN . 7.3 tp -64.35 -65.53 0.66 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 0.0 109.341 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.557 ' CB ' ' SG ' ' A' ' 39' ' ' CYS . . . -55.63 -35.08 65.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 109.33 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' TRP . . . . . 0.599 ' CE3' ' OG ' ' A' ' 25' ' ' SER . 12.0 t-105 -69.8 -37.87 76.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.135 . . . . 0.0 108.013 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.436 ' N ' ' O ' ' A' ' 18' ' ' GLN . 7.7 t70 -70.14 -11.92 61.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.438 1.087 . . . . 0.0 109.297 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.409 ' HB ' ' O ' ' A' ' 20' ' ' ALA . 1.0 OUTLIER -88.18 -68.63 0.75 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 110.38 -179.987 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -73.17 -58.89 2.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 108.253 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.599 ' OG ' ' CE3' ' A' ' 21' ' ' TRP . 0.0 OUTLIER -77.46 52.99 1.01 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.509 1.131 . . . . 0.0 110.027 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 O-C-N 124.475 1.11 . . . . 0.0 110.942 -179.956 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 109.279 -0.638 . . . . 0.0 109.279 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.406 ' SG ' ' O ' ' A' ' 52' ' ' ALA . 5.0 p -69.07 124.92 25.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 0.0 108.256 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -170.35 176.75 43.88 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.46 1.1 . . . . 0.0 111.033 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.467 ' HA ' ' SG ' ' A' ' 36' ' ' CYS . 81.2 m -85.63 -3.07 58.78 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 0.748 . . . . 0.0 110.4 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.485 ' O ' ' HB2' ' A' ' 38' ' ' GLN . 81.3 t -81.17 -35.77 14.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 109.276 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -63.36 -12.62 31.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 108.305 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.676 ' SG ' ' HB2' ' A' ' 49' ' ' ALA . 79.2 m -54.17 -79.82 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 108.295 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -86.8 42.5 3.16 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.556 1.16 . . . . 0.0 111.034 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.97 ' O ' HG23 ' A' ' 10' ' ' THR . 5.9 tp60 -123.2 -46.05 2.08 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 0.745 . . . . 0.0 110.314 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.621 ' HB3' ' CE1' ' A' ' 40' ' ' PHE . 0.5 OUTLIER -110.69 -27.13 9.05 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.491 1.119 . . . . 0.0 108.314 180.0 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.621 ' CE1' ' HB3' ' A' ' 39' ' ' CYS . 0.6 OUTLIER -135.15 -177.89 4.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 110.987 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.499 ' O ' ' HB ' ' A' ' 44' ' ' VAL . 3.1 m -141.28 156.58 45.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 109.981 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.708 ' CD2' ' HA ' ' A' ' 43' ' ' PRO . 0.2 OUTLIER -54.67 154.57 8.95 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 110.98 179.998 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.708 ' HA ' ' CD2' ' A' ' 42' ' ' PHE . 18.3 Cg_endo -74.99 8.15 10.25 Favored 'Cis proline' 0 C--N 1.36 1.151 0 C-N-CA 121.05 -2.479 . . . . 0.0 110.988 0.009 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.5 ' N ' ' HA ' ' A' ' 42' ' ' PHE . 2.1 t -71.29 -37.9 67.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.31 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.551 ' HB3' ' N ' ' A' ' 42' ' ' PHE . 0.2 OUTLIER -52.87 -18.34 1.87 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.553 1.158 . . . . 0.0 109.977 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.586 ' HB2' ' CE1' ' A' ' 42' ' ' PHE . 1.6 tt0 -88.15 -23.68 23.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 110.292 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -76.02 -38.5 57.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 110.008 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' CYS . . . . . 0.518 ' O ' ' HB2' ' A' ' 52' ' ' ALA . 1.6 t -53.14 -65.39 0.57 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 108.32 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.676 ' HB2' ' SG ' ' A' ' 36' ' ' CYS . . . -56.77 -18.47 12.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.253 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -81.49 -57.67 2.71 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.481 1.113 . . . . 0.0 111.041 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' MET . . . . . 0.43 ' O ' ' HA ' ' A' ' 25' ' ' SER . 0.4 OUTLIER -86.14 19.91 2.5 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.493 0.761 . . . . 0.0 111.03 179.94 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.518 ' HB2' ' O ' ' A' ' 48' ' ' CYS . . . . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.549 1.156 . . . . 0.0 109.294 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 2' ' ' ILE . . . . . 0.425 HG13 ' OG ' ' A' ' 17' ' ' SER . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.26 -0.645 . . . . 0.0 109.26 . . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -53.18 -24.74 11.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 110.278 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -75.56 -1.52 24.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.336 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 5' ' ' PHE . . . . . 0.404 ' O ' ' HA ' ' A' ' 40' ' ' PHE . 22.4 m-85 -135.36 21.19 3.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 110.988 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 6' ' ' TYR . . . . . 0.542 ' CG ' ' HB2' ' A' ' 17' ' ' SER . 2.5 t80 -78.21 117.6 19.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 111.017 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.403 ' O ' ' HB2' ' A' ' 11' ' ' CYS . 9.5 p -104.08 90.4 3.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.147 . . . . 0.0 110.454 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 7.0 t -75.0 -0.31 18.39 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 110.015 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -77.65 -48.91 15.66 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.446 1.091 . . . . 0.0 110.296 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.864 HG23 ' O ' ' A' ' 38' ' ' GLN . 0.4 OUTLIER -98.93 -24.44 14.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.139 . . . . 0.0 110.416 179.964 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.453 ' SG ' ' HD2' ' A' ' 12' ' ' PRO . 38.2 t -64.4 137.58 97.17 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 0.0 108.308 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.453 ' HD2' ' SG ' ' A' ' 11' ' ' CYS . 18.4 Cg_endo -74.9 -3.29 13.69 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.459 1.768 . . . . 0.0 111.043 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.406 ' CD2' ' HB2' ' A' ' 20' ' ' ALA . 94.9 m-85 -117.55 152.39 35.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.559 1.162 . . . . 0.0 111.037 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.431 ' HD3' ' N ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -145.14 31.4 1.12 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 109.332 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -107.3 -47.72 3.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.249 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -165.31 150.37 9.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 109.318 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.542 ' HB2' ' CG ' ' A' ' 6' ' ' TYR . 12.3 t -68.45 -35.34 77.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.992 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.417 ' O ' ' N ' ' A' ' 22' ' ' ASP . 3.1 tt0 -64.88 -35.55 81.49 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 110.257 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 18.6 tp -57.46 -63.14 1.33 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 109.308 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.547 ' CB ' ' SG ' ' A' ' 39' ' ' CYS . . . -56.25 -37.49 69.85 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.547 1.154 . . . . 0.0 109.283 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' TRP . . . . . 0.543 ' CE2' ' HB2' ' A' ' 25' ' ' SER . 6.8 t-105 -64.65 -38.99 92.87 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 107.962 -1.125 . . . . 0.0 107.962 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.417 ' N ' ' O ' ' A' ' 18' ' ' GLN . 1.4 t0 -68.29 -12.52 61.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 109.311 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.403 ' HB ' ' O ' ' A' ' 20' ' ' ALA . 0.7 OUTLIER -88.81 -50.27 6.32 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.117 . . . . 0.0 110.412 179.971 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.486 ' O ' ' CB ' ' A' ' 31' ' ' CYS . 0.0 OUTLIER -86.7 -72.51 0.5 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 108.341 179.963 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.543 ' HB2' ' CE2' ' A' ' 21' ' ' TRP . 0.0 OUTLIER -80.09 51.53 1.39 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 0.0 110.01 179.975 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.944 0 O-C-N 124.503 1.127 . . . . 0.0 111.005 179.958 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 18.8 p30 . . . . . 0 N--CA 1.454 -0.266 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.486 ' CB ' ' O ' ' A' ' 24' ' ' CYS . 1.0 OUTLIER -57.99 145.64 35.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.141 . . . . 0.0 108.317 179.975 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 170.24 -178.34 43.05 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.543 1.152 . . . . 0.0 110.958 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.504 ' HA ' ' SG ' ' A' ' 36' ' ' CYS . 88.9 m -85.44 -5.16 59.32 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.496 0.762 . . . . 0.0 110.441 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.472 ' O ' ' HB2' ' A' ' 38' ' ' GLN . 97.8 t -81.89 -38.31 15.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.54 1.15 . . . . 0.0 109.271 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -62.02 -14.98 40.91 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.478 1.111 . . . . 0.0 108.324 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.804 ' SG ' ' HB2' ' A' ' 49' ' ' ALA . 72.7 m -55.04 -57.52 11.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.117 . . . . 0.0 108.312 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -109.23 42.5 1.94 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.528 1.143 . . . . 0.0 110.983 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.864 ' O ' HG23 ' A' ' 10' ' ' THR . 2.7 tt0 -122.19 -48.54 2.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 0.776 . . . . 0.0 110.264 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.565 ' HB3' ' CE1' ' A' ' 40' ' ' PHE . 0.5 OUTLIER -109.85 -24.4 10.87 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.551 1.157 . . . . 0.0 108.286 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.565 ' CE1' ' HB3' ' A' ' 39' ' ' CYS . 1.0 OUTLIER -135.73 -178.66 5.23 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.511 1.132 . . . . 0.0 111.034 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.502 ' O ' ' HB ' ' A' ' 44' ' ' VAL . 1.0 OUTLIER -144.74 157.4 44.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 110.005 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.721 ' CD2' ' HA ' ' A' ' 43' ' ' PRO . 0.2 OUTLIER -54.4 153.83 9.45 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.532 1.145 . . . . 0.0 111.021 -179.992 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.721 ' HA ' ' CD2' ' A' ' 42' ' ' PHE . 18.3 Cg_endo -75.0 7.4 10.88 Favored 'Cis proline' 0 C--N 1.36 1.142 0 C-N-CA 121.069 -2.471 . . . . 0.0 110.971 0.046 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.502 ' HB ' ' O ' ' A' ' 41' ' ' SER . 2.1 t -70.78 -36.89 66.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.311 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.558 ' HB3' ' N ' ' A' ' 42' ' ' PHE . 0.1 OUTLIER -51.75 -18.53 1.27 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.129 . . . . 0.0 110.019 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.594 ' HB2' ' CE1' ' A' ' 42' ' ' PHE . 11.1 tp60 -87.66 -28.1 22.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 110.325 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' SER . . . . . 0.44 ' N ' ' O ' ' A' ' 44' ' ' VAL . 12.9 m -71.57 -39.33 70.67 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.516 1.135 . . . . 0.0 110.044 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 1.1 t -53.09 -70.01 0.1 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.145 . . . . 0.0 108.32 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.804 ' HB2' ' SG ' ' A' ' 36' ' ' CYS . . . -55.24 -20.2 10.3 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 109.278 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -75.53 -56.46 4.61 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.481 1.113 . . . . 0.0 111.044 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' MET . . . . . 0.465 ' HB3' ' CZ2' ' A' ' 21' ' ' TRP . 1.3 tpp -85.22 15.05 4.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.456 0.739 . . . . 0.0 111.016 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 109.305 -179.985 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -106.59 -39.97 5.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 0.0 109.334 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -54.45 -32.09 56.9 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 110.282 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -74.21 -12.07 60.47 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.45 1.094 . . . . 0.0 109.269 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.745 ' CG ' HG21 ' A' ' 44' ' ' VAL . 16.7 m-85 -121.12 15.69 11.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.133 . . . . 0.0 111.003 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.536 ' CG ' ' HB3' ' A' ' 17' ' ' SER . 5.9 t80 -77.93 136.6 38.04 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.128 . . . . 0.0 111.025 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 9.9 p -117.76 87.98 2.82 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.546 1.154 . . . . 0.0 110.402 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 27.9 t -72.65 -3.18 23.36 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.465 1.103 . . . . 0.0 110.035 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -74.83 -44.62 48.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.143 . . . . 0.0 110.33 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.883 HG23 ' O ' ' A' ' 38' ' ' GLN . 0.1 OUTLIER -103.35 -25.33 13.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.561 1.163 . . . . 0.0 110.392 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.449 ' SG ' ' CB ' ' A' ' 20' ' ' ALA . 21.7 t -64.34 136.39 96.74 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 108.315 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.41 ' HD2' ' SG ' ' A' ' 11' ' ' CYS . 18.2 Cg_endo -75.03 -5.48 16.84 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.476 1.777 . . . . 0.0 110.98 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 86.4 m-85 -115.62 130.67 56.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 110.973 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.53 31.41 6.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 109.335 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 4.6 t30 -101.12 -54.83 2.7 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.472 1.108 . . . . 0.0 109.294 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -165.17 158.98 17.1 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.471 1.107 . . . . 0.0 109.302 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.536 ' HB3' ' CG ' ' A' ' 6' ' ' TYR . 58.4 p -71.38 -30.77 66.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.564 1.165 . . . . 0.0 110.038 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.434 ' O ' ' N ' ' A' ' 22' ' ' ASP . 45.4 mt-30 -67.04 -27.31 67.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 110.261 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 51.7 tp -67.6 -65.17 0.72 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 109.308 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.449 ' CB ' ' SG ' ' A' ' 11' ' ' CYS . . . -55.75 -34.26 65.03 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 0.0 109.27 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' TRP . . . . . 0.557 ' HB2' ' CZ ' ' A' ' 40' ' ' PHE . 5.2 t-105 -72.2 -40.05 68.15 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 107.988 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.434 ' N ' ' O ' ' A' ' 18' ' ' GLN . 8.8 m-20 -64.97 -14.34 59.9 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.104 . . . . 0.0 109.273 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.513 HG22 ' N ' ' A' ' 24' ' ' CYS . 0.8 OUTLIER -89.02 -65.66 1.0 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 110.4 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.513 ' N ' HG22 ' A' ' 23' ' ' THR . 0.0 OUTLIER -65.1 -68.38 0.37 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.452 1.095 . . . . 0.0 108.301 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.432 ' O ' ' SD ' ' A' ' 51' ' ' MET . 0.0 OUTLIER -80.52 52.41 1.64 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 110.05 179.969 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -123.91 -2.82 8.52 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.513 1.133 . . . . 0.0 111.055 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 96.45 -29.71 9.86 Favored Glycine 0 CA--C 1.53 0.997 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 57.7 p -133.16 -173.73 3.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.448 0.734 . . . . 0.0 110.415 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 88.31 -111.98 3.84 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.541 1.15 . . . . 0.0 111.017 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -130.79 56.39 1.79 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 0.759 . . . . 0.0 109.291 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.42 ' HB2' ' HB1' ' A' ' 52' ' ' ALA . 0.8 OUTLIER -73.71 154.0 39.83 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 108.323 179.971 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 158.78 -176.04 35.71 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.52 1.137 . . . . 0.0 110.975 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.424 ' HA ' ' HB2' ' A' ' 49' ' ' ALA . 90.7 m -84.52 -4.52 59.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 0.771 . . . . 0.0 110.434 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.446 ' O ' ' HB2' ' A' ' 38' ' ' GLN . 59.6 t -73.89 -44.04 51.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.113 . . . . 0.0 109.286 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.404 ' C ' ' SG ' ' A' ' 48' ' ' CYS . 0.0 OUTLIER -63.02 -14.76 51.89 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 108.325 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.535 ' SG ' ' N ' ' A' ' 37' ' ' GLY . 0.5 OUTLIER -56.03 -52.54 63.88 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.534 1.146 . . . . 0.0 108.298 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.535 ' N ' ' SG ' ' A' ' 36' ' ' CYS . . . -113.64 41.04 2.31 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.49 1.119 . . . . 0.0 111.034 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.883 ' O ' HG23 ' A' ' 10' ' ' THR . 0.7 OUTLIER -118.45 -53.28 2.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 0.763 . . . . 0.0 110.335 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.426 ' SG ' ' HB1' ' A' ' 20' ' ' ALA . 75.3 m -109.79 -21.94 12.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 108.287 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.557 ' CZ ' ' HB2' ' A' ' 21' ' ' TRP . 1.1 m-85 -135.39 -175.52 3.96 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 111.056 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.506 ' O ' ' HB ' ' A' ' 44' ' ' VAL . 2.1 m -152.65 156.67 39.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.993 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.746 ' CD2' ' HA ' ' A' ' 43' ' ' PRO . 0.2 OUTLIER -53.53 154.07 6.89 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.11 . . . . 0.0 110.996 179.969 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.746 ' HA ' ' CD2' ' A' ' 42' ' ' PHE . 18.2 Cg_endo -75.07 8.02 10.6 Favored 'Cis proline' 0 C--N 1.36 1.178 0 C-N-CA 121.004 -2.499 . . . . 0.0 110.979 0.061 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.745 HG21 ' CG ' ' A' ' 5' ' ' PHE . 2.2 t -70.53 -39.15 75.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.122 . . . . 0.0 109.307 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.492 ' H ' ' C ' ' A' ' 41' ' ' SER . 0.4 OUTLIER -51.4 -21.61 2.42 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.105 . . . . 0.0 110.011 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.583 ' HB2' ' CE1' ' A' ' 42' ' ' PHE . 23.9 tp60 -77.98 -31.51 50.8 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.437 1.085 . . . . 0.0 110.314 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' SER . . . . . 0.418 ' N ' ' O ' ' A' ' 44' ' ' VAL . 1.5 m -75.9 -38.33 57.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.127 . . . . 0.0 109.982 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' CYS . . . . . 0.472 ' O ' ' HB2' ' A' ' 52' ' ' ALA . 0.1 OUTLIER -59.14 -55.14 38.79 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.491 1.119 . . . . 0.0 108.268 -179.951 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.424 ' HB2' ' HA ' ' A' ' 33' ' ' THR . . . -73.78 -4.71 36.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 109.268 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -93.75 -50.93 2.22 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.498 1.124 . . . . 0.0 110.971 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' MET . . . . . 0.453 ' SD ' ' CZ2' ' A' ' 21' ' ' TRP . 0.3 OUTLIER -85.76 14.64 5.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 0.754 . . . . 0.0 110.999 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.472 ' HB2' ' O ' ' A' ' 48' ' ' CYS . . . -89.25 32.13 0.86 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 109.326 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 57.36 162.21 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.124 . . . . 0.0 109.268 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -100.81 -75.08 0.59 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 110.013 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -112.35 -8.56 13.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.453 1.095 . . . . 0.0 109.265 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 48.4 m-20 -74.95 -19.65 60.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 109.298 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -74.96 163.49 67.82 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 108.323 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 56.44 4.22 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.448 1.762 . . . . 0.0 111.007 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 55.4 m-20 -92.76 165.94 12.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 109.333 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 109.309 179.978 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -82.73 -38.48 14.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.146 . . . . 0.0 109.349 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.98 -29.77 44.31 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.515 1.134 . . . . 0.0 110.269 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -74.58 -5.97 45.9 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.475 1.109 . . . . 0.0 109.272 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.534 ' CG ' HG21 ' A' ' 44' ' ' VAL . 17.7 m-85 -126.61 15.58 7.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 111.014 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -77.78 106.53 9.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.142 . . . . 0.0 111.032 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 8.9 p -92.15 87.13 6.0 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.139 . . . . 0.0 110.425 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 31.3 t -70.76 -5.2 28.26 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 110.02 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.12 -49.67 34.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.577 1.173 . . . . 0.0 110.305 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.906 HG23 ' O ' ' A' ' 38' ' ' GLN . 0.1 OUTLIER -96.79 -26.4 15.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 110.383 -179.961 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.414 ' SG ' ' HD2' ' A' ' 12' ' ' PRO . 11.3 t -64.49 136.6 96.83 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.13 . . . . 0.0 108.321 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.414 ' HD2' ' SG ' ' A' ' 11' ' ' CYS . 18.3 Cg_endo -75.07 -8.54 20.08 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.554 1.818 . . . . 0.0 111.01 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 95.8 m-85 -110.62 142.64 42.2 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 110.974 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.426 ' HD3' ' N ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -134.69 28.57 3.59 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 1.109 . . . . 0.0 109.309 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 12.9 t30 -100.71 -54.4 2.84 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 109.312 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -163.01 152.01 14.78 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.486 1.116 . . . . 0.0 109.301 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 79.3 p -66.48 -34.56 78.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 110.054 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 45.1 tt0 -65.68 -22.08 66.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 110.271 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 57.7 tp -71.72 -62.14 1.53 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 109.281 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.412 ' CB ' ' SG ' ' A' ' 11' ' ' CYS . . . -57.86 -33.36 68.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 109.299 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' TRP . . . . . 0.527 ' CE2' ' HB2' ' A' ' 25' ' ' SER . 4.8 t-105 -71.94 -38.42 69.82 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.14 . . . . 0.0 108.006 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -64.93 -12.11 45.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 109.265 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.471 HG22 ' N ' ' A' ' 24' ' ' CYS . 0.8 OUTLIER -89.49 -62.98 1.35 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 0.0 110.37 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.471 ' N ' HG22 ' A' ' 23' ' ' THR . 0.0 OUTLIER -73.36 -71.61 0.3 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 0.0 108.314 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.527 ' HB2' ' CE2' ' A' ' 21' ' ' TRP . 0.1 OUTLIER -80.54 52.68 1.7 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 110.0 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -122.71 -3.53 9.18 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.46 1.1 . . . . 0.0 111.027 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.403 ' O ' ' OD2' ' A' ' 53' ' ' ASP . . . 104.82 -41.01 2.26 Favored Glycine 0 CA--C 1.53 0.978 0 N-CA-C 111.026 -0.829 . . . . 0.0 111.026 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.41 ' O ' ' O ' ' A' ' 23' ' ' THR . 75.5 p -129.9 -177.34 4.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 0.771 . . . . 0.0 110.44 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 95.11 -126.38 8.72 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.492 1.12 . . . . 0.0 110.986 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ASN . . . . . 0.402 ' OD1' ' CG2' ' A' ' 23' ' ' THR . 13.4 p30 -112.4 53.99 0.72 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 0.766 . . . . 0.0 109.295 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.406 ' SG ' ' O ' ' A' ' 52' ' ' ALA . 1.8 p -70.71 147.47 49.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 108.265 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 166.92 -177.83 41.46 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.51 1.131 . . . . 0.0 111.013 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.413 ' O ' ' SG ' ' A' ' 36' ' ' CYS . 41.0 m -84.6 -4.26 58.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 0.784 . . . . 0.0 110.404 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.438 ' O ' ' HB2' ' A' ' 38' ' ' GLN . 93.6 t -73.76 -42.92 54.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.249 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -62.73 -15.29 52.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.449 1.093 . . . . 0.0 108.262 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.542 ' SG ' ' N ' ' A' ' 37' ' ' GLY . 0.5 OUTLIER -55.23 -53.16 59.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 108.269 -179.954 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.542 ' N ' ' SG ' ' A' ' 36' ' ' CYS . . . -113.96 43.25 1.74 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.48 1.113 . . . . 0.0 111.033 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.906 ' O ' HG23 ' A' ' 10' ' ' THR . 2.3 tt0 -120.3 -52.11 2.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 0.752 . . . . 0.0 110.241 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 88.9 m -111.76 -20.94 11.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 108.339 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.52 ' CZ ' ' HB2' ' A' ' 21' ' ' TRP . 1.1 m-85 -135.76 -178.61 5.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.103 . . . . 0.0 111.05 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.513 ' O ' ' HB ' ' A' ' 44' ' ' VAL . 0.0 OUTLIER -149.63 157.02 42.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 110.039 179.961 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.735 ' CD2' ' HA ' ' A' ' 43' ' ' PRO . 0.2 OUTLIER -54.01 154.31 7.77 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.54 1.15 . . . . 0.0 110.966 -179.968 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.735 ' HA ' ' CD2' ' A' ' 42' ' ' PHE . 18.4 Cg_endo -74.93 8.29 10.03 Favored 'Cis proline' 0 C--N 1.36 1.152 0 C-N-CA 121.033 -2.486 . . . . 0.0 111.012 -0.061 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.534 HG21 ' CG ' ' A' ' 5' ' ' PHE . 2.2 t -70.68 -39.35 75.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.444 1.09 . . . . 0.0 109.308 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.494 ' H ' ' C ' ' A' ' 41' ' ' SER . 0.6 OUTLIER -52.03 -25.34 8.29 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.492 1.12 . . . . 0.0 110.019 179.976 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.561 ' HB2' ' CE1' ' A' ' 42' ' ' PHE . 16.8 tt0 -74.91 -30.41 61.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 110.267 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.4 m -76.14 -39.94 53.84 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.532 1.145 . . . . 0.0 110.014 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' CYS . . . . . 0.525 ' O ' ' HB2' ' A' ' 52' ' ' ALA . 0.4 OUTLIER -54.01 -60.21 3.63 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.552 1.158 . . . . 0.0 108.304 179.964 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.54 -15.97 61.83 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.113 . . . . 0.0 109.294 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -81.19 -54.44 3.56 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.548 1.155 . . . . 0.0 111.012 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' MET . . . . . 0.402 ' HB3' ' CB ' ' A' ' 25' ' ' SER . 1.0 OUTLIER -85.48 15.0 4.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 0.771 . . . . 0.0 110.975 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.525 ' HB2' ' O ' ' A' ' 48' ' ' CYS . . . -89.49 25.28 2.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.543 1.152 . . . . 0.0 109.286 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.403 ' OD2' ' O ' ' A' ' 27' ' ' GLY . 3.6 m-20 58.55 158.3 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.5 1.125 . . . . 0.0 109.312 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -109.5 -79.96 0.58 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.149 . . . . 0.0 109.974 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 5.4 t-20 -101.67 -9.58 20.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.147 . . . . 0.0 109.275 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -74.85 -33.8 62.18 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.115 . . . . 0.0 109.342 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' CYS . . . . . 0.4 ' SG ' ' O ' ' A' ' 27' ' ' GLY . 0.0 OUTLIER -63.38 166.08 9.73 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 108.321 179.951 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 56.17 4.2 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.469 1.773 . . . . 0.0 110.978 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 15.1 m120 -89.69 164.14 14.82 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.113 . . . . 0.0 109.309 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.543 1.152 . . . . 0.0 109.267 179.97 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 61.6 m-20 . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.265 -0.643 . . . . 0.0 109.265 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -96.11 -34.43 5.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.271 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.08 -31.87 53.08 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 110.266 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 22.6 m-20 -74.31 -4.25 35.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 109.334 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.655 ' CG ' HG21 ' A' ' 44' ' ' VAL . 11.7 m-85 -128.84 17.93 6.21 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 110.971 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.52 ' CG ' ' HB3' ' A' ' 17' ' ' SER . 2.5 t80 -78.46 118.18 20.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.098 . . . . 0.0 110.984 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.403 ' O ' ' HB2' ' A' ' 11' ' ' CYS . 65.4 p -103.41 83.54 2.19 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.109 . . . . 0.0 110.424 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.4 t -65.3 -10.03 29.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 109.997 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -69.8 -57.96 4.46 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.547 1.154 . . . . 0.0 110.295 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.919 HG23 ' O ' ' A' ' 38' ' ' GLN . 0.2 OUTLIER -85.35 -29.35 24.54 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.48 1.113 . . . . 0.0 110.364 -179.968 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.456 ' SG ' ' CB ' ' A' ' 20' ' ' ALA . 6.7 t -64.22 137.27 97.07 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 108.252 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.558 ' HG2' ' CE2' ' A' ' 13' ' ' TYR . 18.3 Cg_endo -75.0 -12.07 21.49 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.489 1.784 . . . . 0.0 111.04 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.617 ' CD1' HD11 ' A' ' 19' ' ' LEU . 50.6 m-85 -117.02 139.1 51.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.118 . . . . 0.0 110.966 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.96 32.03 4.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.288 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 4.8 t-20 -98.0 -42.85 7.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 109.302 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -165.24 151.33 9.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.566 1.166 . . . . 0.0 109.295 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.52 ' HB3' ' CG ' ' A' ' 6' ' ' TYR . 37.6 p -70.81 -35.53 72.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 110.034 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 96.0 mt-30 -72.89 -23.64 60.74 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 110.284 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.753 HD13 ' N ' ' A' ' 20' ' ' ALA . 0.4 OUTLIER -64.33 -59.55 4.24 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.525 1.141 . . . . 0.0 109.333 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.753 ' N ' HD13 ' A' ' 19' ' ' LEU . . . -59.93 -34.62 73.47 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.474 1.109 . . . . 0.0 109.302 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' TRP . . . . . 0.543 ' HB2' ' CZ ' ' A' ' 40' ' ' PHE . 2.7 t-105 -67.37 -40.56 85.74 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 107.998 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -64.46 -13.56 52.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.31 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -89.05 -50.52 6.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 110.361 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.506 ' O ' ' CB ' ' A' ' 31' ' ' CYS . 0.0 OUTLIER -83.99 -70.97 0.53 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.507 1.13 . . . . 0.0 108.276 -179.972 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.512 ' HB2' ' CE2' ' A' ' 21' ' ' TRP . 0.0 OUTLIER -79.92 52.1 1.44 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 109.98 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -124.23 -1.66 8.57 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.556 1.16 . . . . 0.0 110.982 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 104.81 -46.63 1.16 Allowed Glycine 0 CA--C 1.53 1.019 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 81.6 p -121.84 178.13 5.0 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.53 0.782 . . . . 0.0 110.424 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 93.76 -136.45 13.07 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.494 1.121 . . . . 0.0 110.971 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 26.9 p30 -94.76 37.65 1.13 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.491 0.759 . . . . 0.0 109.321 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.506 ' CB ' ' O ' ' A' ' 24' ' ' CYS . 12.8 p -63.06 130.97 46.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 108.312 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 175.14 -175.89 47.16 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.531 1.144 . . . . 0.0 110.992 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.547 ' HA ' ' HB2' ' A' ' 49' ' ' ALA . 95.7 m -84.5 -4.94 59.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 0.767 . . . . 0.0 110.392 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.427 ' O ' ' HB2' ' A' ' 38' ' ' GLN . 53.1 t -74.52 -41.4 49.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.52 1.138 . . . . 0.0 109.289 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.413 ' C ' ' SG ' ' A' ' 48' ' ' CYS . 0.0 OUTLIER -62.91 -14.75 50.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.135 . . . . 0.0 108.267 -179.981 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.533 ' SG ' ' N ' ' A' ' 37' ' ' GLY . 0.6 OUTLIER -54.34 -52.7 60.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 108.29 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.533 ' N ' ' SG ' ' A' ' 36' ' ' CYS . . . -113.98 40.32 2.53 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.492 1.12 . . . . 0.0 110.969 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.919 ' O ' HG23 ' A' ' 10' ' ' THR . 5.5 tp60 -120.74 -45.07 2.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 0.757 . . . . 0.0 110.322 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.428 ' SG ' ' HB1' ' A' ' 20' ' ' ALA . 55.4 m -114.16 -26.0 8.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 108.264 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.543 ' CZ ' ' HB2' ' A' ' 21' ' ' TRP . 0.4 OUTLIER -135.43 -173.02 3.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.465 1.103 . . . . 0.0 111.014 -179.968 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.494 ' O ' ' HB ' ' A' ' 44' ' ' VAL . 2.3 m -151.29 157.26 42.32 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.537 1.148 . . . . 0.0 110.042 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.714 ' CG ' ' HA ' ' A' ' 43' ' ' PRO . 0.1 OUTLIER -55.43 155.79 9.41 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 110.982 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.714 ' HA ' ' CG ' ' A' ' 42' ' ' PHE . 18.5 Cg_endo -74.97 8.74 9.73 Favored 'Cis proline' 0 C--N 1.36 1.149 0 C-N-CA 121.025 -2.489 . . . . 0.0 111.037 -0.063 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.655 HG21 ' CG ' ' A' ' 5' ' ' PHE . 2.1 t -71.53 -39.07 70.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.435 1.084 . . . . 0.0 109.303 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.542 ' HB3' ' N ' ' A' ' 42' ' ' PHE . 0.1 OUTLIER -51.22 -22.77 2.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 0.0 110.053 179.969 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.565 ' HB2' ' CE1' ' A' ' 42' ' ' PHE . 6.1 tt0 -76.04 -31.94 59.09 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.518 1.137 . . . . 0.0 110.283 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.5 m -76.25 -36.53 58.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.151 . . . . 0.0 109.985 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' CYS . . . . . 0.413 ' SG ' ' C ' ' A' ' 35' ' ' CYS . 0.1 OUTLIER -60.14 -52.92 63.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 108.313 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.547 ' HB2' ' HA ' ' A' ' 33' ' ' THR . . . -77.22 -0.04 23.71 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.437 1.086 . . . . 0.0 109.301 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -99.89 -47.07 1.81 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.467 1.104 . . . . 0.0 110.987 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' MET . . . . . 0.52 ' CB ' ' CZ2' ' A' ' 21' ' ' TRP . 1.0 OUTLIER -85.83 10.88 12.47 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 0.768 . . . . 0.0 111.042 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.403 ' O ' ' O ' ' A' ' 53' ' ' ASP . . . -89.84 34.04 0.85 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 109.325 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.475 ' CG ' ' CB ' ' A' ' 56' ' ' ASP . 1.1 m-20 51.33 177.78 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.117 . . . . 0.0 109.302 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -117.95 -70.85 0.77 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 109.97 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -84.9 -16.48 40.99 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 0.0 109.31 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.475 ' CB ' ' CG ' ' A' ' 53' ' ' ASP . 0.5 OUTLIER -74.73 -32.92 62.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.559 1.162 . . . . 0.0 109.309 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -69.13 146.88 97.37 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 108.329 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 58.0 4.73 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.483 1.78 . . . . 0.0 110.983 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 37.6 m-20 -89.25 160.52 16.88 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.461 1.1 . . . . 0.0 109.322 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.121 . . . . 0.0 109.264 -179.977 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -106.23 -35.74 3.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.459 1.099 . . . . 0.0 109.292 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.422 ' HG2' ' N ' ' A' ' 4' ' ' ASP . 4.2 pm0 -54.41 -31.21 54.62 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.458 1.099 . . . . 0.0 110.364 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.422 ' N ' ' HG2' ' A' ' 3' ' ' GLU . 0.2 OUTLIER -74.53 -13.23 60.65 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.52 1.138 . . . . 0.0 109.335 179.963 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.705 ' CG ' HG21 ' A' ' 44' ' ' VAL . 23.7 m-85 -119.85 15.85 12.61 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.497 1.123 . . . . 0.0 110.953 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.53 ' CG ' ' HB3' ' A' ' 17' ' ' SER . 5.4 t80 -77.72 132.41 38.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.137 . . . . 0.0 110.999 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.407 ' O ' ' HB2' ' A' ' 11' ' ' CYS . 42.8 p -114.47 86.38 2.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.453 1.096 . . . . 0.0 110.409 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 29.0 t -71.58 -3.63 22.51 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.509 1.131 . . . . 0.0 109.991 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.87 -54.63 6.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 110.334 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.843 HG23 ' O ' ' A' ' 38' ' ' GLN . 0.7 OUTLIER -92.39 -26.17 18.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.138 . . . . 0.0 110.387 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.457 ' SG ' ' CB ' ' A' ' 20' ' ' ALA . 35.3 t -64.17 136.44 96.75 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.544 1.152 . . . . 0.0 108.281 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.401 ' HD2' ' SG ' ' A' ' 11' ' ' CYS . 18.3 Cg_endo -74.98 -1.99 11.94 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.473 1.775 . . . . 0.0 111.016 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 94.2 m-85 -118.15 131.64 56.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 0.0 110.989 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.39 34.41 5.03 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.466 1.104 . . . . 0.0 109.29 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 4.6 t30 -105.5 -54.18 2.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.12 . . . . 0.0 109.305 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -165.19 156.74 14.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 109.298 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.53 ' HB3' ' CG ' ' A' ' 6' ' ' TYR . 66.3 p -69.91 -32.33 70.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 110.031 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.512 ' O ' ' CB ' ' A' ' 22' ' ' ASP . 49.3 mt-30 -65.65 -24.13 66.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.455 1.097 . . . . 0.0 110.292 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 43.2 tp -70.55 -65.92 0.67 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 0.0 109.278 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.457 ' CB ' ' SG ' ' A' ' 11' ' ' CYS . . . -55.34 -33.78 63.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.259 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' TRP . . . . . 0.57 ' HB2' ' CZ ' ' A' ' 40' ' ' PHE . 5.5 t-105 -74.5 -41.23 61.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.117 . . . . 0.0 108.059 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.512 ' CB ' ' O ' ' A' ' 18' ' ' GLN . 4.4 t70 -65.33 -11.69 44.39 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.441 1.088 . . . . 0.0 109.314 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.418 HG22 ' N ' ' A' ' 24' ' ' CYS . 0.8 OUTLIER -85.65 -61.05 1.85 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.53 1.143 . . . . 0.0 110.392 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.438 ' SG ' ' N ' ' A' ' 25' ' ' SER . 0.0 OUTLIER -79.81 -67.37 0.77 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 108.326 179.958 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.513 ' HB2' ' CE2' ' A' ' 21' ' ' TRP . 0.1 OUTLIER -77.76 53.19 1.1 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.477 1.111 . . . . 0.0 110.035 179.962 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -131.23 8.91 5.66 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.534 1.146 . . . . 0.0 110.954 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.401 ' O ' ' SG ' ' A' ' 57' ' ' CYS . . . 94.85 -32.85 5.76 Favored Glycine 0 CA--C 1.53 0.989 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.403 ' O ' ' O ' ' A' ' 23' ' ' THR . 69.2 p -131.69 -151.76 0.47 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 0.751 . . . . 0.0 110.408 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 73.24 -134.91 20.38 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.488 1.118 . . . . 0.0 110.991 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 25.3 p30 -106.88 43.58 1.14 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 0.753 . . . . 0.0 109.331 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.435 ' CB ' ' O ' ' A' ' 24' ' ' CYS . 0.6 OUTLIER -60.84 137.3 58.22 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 108.252 -179.965 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 176.18 -173.65 46.41 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.441 1.088 . . . . 0.0 111.005 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.437 ' HA ' ' SG ' ' A' ' 36' ' ' CYS . 88.7 m -85.28 -6.33 59.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 0.759 . . . . 0.0 110.402 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.497 ' O ' ' HB2' ' A' ' 38' ' ' GLN . 70.4 t -82.76 -34.65 11.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.311 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -63.37 -19.05 64.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 108.345 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.8 ' SG ' ' HB2' ' A' ' 49' ' ' ALA . 73.6 m -55.63 -78.97 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.542 1.151 . . . . 0.0 108.276 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -84.7 48.63 4.09 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.471 1.107 . . . . 0.0 111.015 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.843 ' O ' HG23 ' A' ' 10' ' ' THR . 2.0 tt0 -120.45 -59.85 1.73 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.428 0.723 . . . . 0.0 110.306 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 61.1 m -112.06 -13.51 13.56 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.457 1.098 . . . . 0.0 108.297 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.57 ' CZ ' ' HB2' ' A' ' 21' ' ' TRP . 1.2 m-85 -135.1 174.5 10.54 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.123 . . . . 0.0 110.99 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.516 ' C ' ' H ' ' A' ' 45' ' ' SER . 3.3 m -143.71 158.23 43.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 109.962 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.741 ' CD2' ' HA ' ' A' ' 43' ' ' PRO . 0.2 OUTLIER -54.73 153.92 10.16 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.511 1.132 . . . . 0.0 111.0 -179.953 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.741 ' HA ' ' CD2' ' A' ' 42' ' ' PHE . 18.3 Cg_endo -74.99 6.46 11.63 Favored 'Cis proline' 0 C--N 1.36 1.162 0 C-N-CA 121.006 -2.497 . . . . 0.0 111.001 -0.022 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.705 HG21 ' CG ' ' A' ' 5' ' ' PHE . 2.0 t -70.17 -36.97 70.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 109.313 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.516 ' H ' ' C ' ' A' ' 41' ' ' SER . 0.6 OUTLIER -52.52 -17.84 1.43 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.54 1.15 . . . . 0.0 110.024 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.615 ' HB2' ' CE1' ' A' ' 42' ' ' PHE . 0.4 OUTLIER -89.08 -25.23 22.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 110.281 179.967 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 47' ' ' SER . . . . . 0.449 ' N ' ' O ' ' A' ' 44' ' ' VAL . 2.5 t -75.19 -37.94 61.01 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.524 1.14 . . . . 0.0 110.052 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' CYS . . . . . 0.433 ' SG ' ' N ' ' A' ' 36' ' ' CYS . 0.1 OUTLIER -54.08 -66.24 0.43 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 108.305 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.8 ' HB2' ' SG ' ' A' ' 36' ' ' CYS . . . -59.48 -16.16 22.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 0.0 109.273 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -80.16 -52.96 4.35 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.477 1.111 . . . . 0.0 111.039 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' MET . . . . . 0.433 ' HB3' ' CB ' ' A' ' 25' ' ' SER . 3.9 tpt -85.47 14.34 5.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 0.78 . . . . 0.0 110.998 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.414 ' O ' ' O ' ' A' ' 53' ' ' ASP . . . -90.35 35.08 0.86 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 0.0 109.321 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.414 ' O ' ' O ' ' A' ' 52' ' ' ALA . 0.9 OUTLIER 56.2 164.96 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 109.286 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -98.66 -87.45 0.34 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 109.995 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -105.55 -7.66 18.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.43 1.081 . . . . 0.0 109.354 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -74.44 -21.41 59.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.11 . . . . 0.0 109.264 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' CYS . . . . . 0.401 ' SG ' ' O ' ' A' ' 27' ' ' GLY . 0.0 OUTLIER -76.05 154.72 84.7 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.565 1.166 . . . . 0.0 108.316 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 55.94 4.13 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.511 1.795 . . . . 0.0 110.99 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ASN . . . . . 0.4 ' O ' ' C ' ' A' ' 60' ' ' ALA . 25.9 m-20 -93.61 165.08 12.9 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.513 1.133 . . . . 0.0 109.28 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.4 ' C ' ' O ' ' A' ' 59' ' ' ASN . . . . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.0 109.322 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 16.9 m-20 . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -97.15 -31.69 3.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 0.0 109.316 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -55.94 -29.33 59.96 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 110.292 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -74.24 -5.56 42.72 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.472 1.107 . . . . 0.0 109.276 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 18.4 m-85 -126.88 16.71 7.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 110.983 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.539 ' CG ' ' HB3' ' A' ' 17' ' ' SER . 5.5 t80 -78.79 132.57 36.95 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.47 1.107 . . . . 0.0 111.002 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.424 ' O ' ' OG1' ' A' ' 7' ' ' THR . 8.7 p -121.53 89.38 3.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 110.432 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -67.69 -8.39 34.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.471 1.107 . . . . 0.0 110.005 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -68.96 -46.1 69.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.112 . . . . 0.0 110.27 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.914 HG23 ' O ' ' A' ' 38' ' ' GLN . 0.5 OUTLIER -99.13 -27.91 13.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.133 . . . . 0.0 110.381 -179.983 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.463 ' SG ' ' CB ' ' A' ' 20' ' ' ALA . 7.7 t -64.31 137.29 97.08 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 108.258 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.566 ' HG2' ' CE2' ' A' ' 13' ' ' TYR . 18.1 Cg_endo -75.05 -7.61 19.27 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.503 1.791 . . . . 0.0 110.998 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.566 ' CE2' ' HG2' ' A' ' 12' ' ' PRO . 52.5 m-85 -122.68 139.27 54.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 110.98 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.54 34.49 4.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 109.291 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 17.9 t30 -99.35 -45.73 5.75 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 109.352 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -165.47 156.54 14.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.336 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.539 ' HB3' ' CG ' ' A' ' 6' ' ' TYR . 9.3 p -73.62 -34.11 64.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.993 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 42.9 tt0 -74.6 -22.71 58.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 110.322 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.721 HD13 ' N ' ' A' ' 20' ' ' ALA . 0.4 OUTLIER -65.98 -58.52 5.35 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 109.263 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.721 ' N ' HD13 ' A' ' 19' ' ' LEU . . . -60.98 -32.81 72.35 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.498 1.124 . . . . 0.0 109.281 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' TRP . . . . . 0.565 ' HB2' ' CZ ' ' A' ' 40' ' ' PHE . 7.6 t-105 -68.06 -41.01 82.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 108.005 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 35.8 t0 -66.5 -13.08 60.4 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.462 1.101 . . . . 0.0 109.325 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.414 HG22 ' N ' ' A' ' 24' ' ' CYS . 0.7 OUTLIER -84.61 -55.43 4.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 110.424 179.962 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.433 ' SG ' ' N ' ' A' ' 25' ' ' SER . 0.0 OUTLIER -85.91 -71.59 0.53 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 108.289 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.526 ' HB2' ' CE2' ' A' ' 21' ' ' TRP . 0.1 OUTLIER -79.81 51.96 1.39 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.448 1.093 . . . . 0.0 109.967 -179.962 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -123.51 6.34 9.17 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.489 1.118 . . . . 0.0 111.005 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 98.31 -37.64 3.4 Favored Glycine 0 CA--C 1.53 1.001 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.41 ' O ' ' O ' ' A' ' 23' ' ' THR . 69.6 p -134.82 -174.59 3.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 0.757 . . . . 0.0 110.396 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 91.25 -132.54 11.33 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.426 1.079 . . . . 0.0 111.044 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 42.6 p-10 -100.39 43.98 1.04 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.486 0.756 . . . . 0.0 109.282 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.402 ' SG ' ' O ' ' A' ' 52' ' ' ALA . 0.8 OUTLIER -63.49 125.19 23.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 108.275 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -170.42 179.05 42.78 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.539 1.149 . . . . 0.0 110.965 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.471 ' HA ' ' SG ' ' A' ' 36' ' ' CYS . 91.8 m -85.49 -5.76 59.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 0.765 . . . . 0.0 110.421 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.455 ' O ' ' HB2' ' A' ' 38' ' ' GLN . 53.2 t -79.25 -35.09 16.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.467 1.105 . . . . 0.0 109.317 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -63.06 -14.13 44.38 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.493 1.121 . . . . 0.0 108.3 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.693 ' SG ' ' HB2' ' A' ' 49' ' ' ALA . 81.4 m -55.52 -69.4 0.14 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 108.283 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -97.56 45.4 1.74 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.538 1.149 . . . . 0.0 110.99 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.914 ' O ' HG23 ' A' ' 10' ' ' THR . 0.1 OUTLIER -121.36 -36.21 3.13 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 0.763 . . . . 0.0 110.294 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.403 ' O ' ' N ' ' A' ' 7' ' ' THR . 70.7 m -125.72 -41.06 2.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.548 1.155 . . . . 0.0 108.307 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.565 ' CZ ' ' HB2' ' A' ' 21' ' ' TRP . 0.5 OUTLIER -114.93 179.39 3.96 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.52 1.137 . . . . 0.0 111.002 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.5 ' O ' ' HB ' ' A' ' 44' ' ' VAL . 2.7 m -140.97 158.75 43.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 110.03 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.712 ' CD2' ' HA ' ' A' ' 43' ' ' PRO . 0.2 OUTLIER -55.17 154.93 9.78 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 111.015 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.712 ' HA ' ' CD2' ' A' ' 42' ' ' PHE . 18.4 Cg_endo -74.95 7.88 10.41 Favored 'Cis proline' 0 C--N 1.36 1.136 0 C-N-CA 121.001 -2.499 . . . . 0.0 111.0 -0.029 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.5 ' HB ' ' O ' ' A' ' 41' ' ' SER . 2.1 t -70.6 -38.59 73.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 0.0 109.322 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.545 ' HB3' ' N ' ' A' ' 42' ' ' PHE . 0.2 OUTLIER -52.74 -18.35 1.79 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.13 . . . . 0.0 110.008 -179.967 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.59 ' HB2' ' CE1' ' A' ' 42' ' ' PHE . 4.2 tt0 -87.53 -24.61 24.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.54 1.15 . . . . 0.0 110.285 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' SER . . . . . 0.428 ' N ' ' O ' ' A' ' 44' ' ' VAL . 87.2 p -75.27 -38.05 60.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.096 . . . . 0.0 110.019 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' CYS . . . . . 0.429 ' O ' ' HB2' ' A' ' 52' ' ' ALA . 1.0 OUTLIER -53.18 -65.49 0.55 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.14 . . . . 0.0 108.305 179.977 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.693 ' HB2' ' SG ' ' A' ' 36' ' ' CYS . . . -58.05 -17.4 17.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 109.334 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -80.51 -55.76 3.34 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.491 1.119 . . . . 0.0 110.962 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' MET . . . . . 0.5 ' HB3' ' CZ2' ' A' ' 21' ' ' TRP . 0.6 OUTLIER -85.32 15.53 4.3 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.516 0.774 . . . . 0.0 111.04 179.977 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.429 ' HB2' ' O ' ' A' ' 48' ' ' CYS . . . -89.55 22.9 2.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 109.306 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.405 ' O ' ' O ' ' A' ' 52' ' ' ALA . 5.4 m-20 59.54 154.17 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 109.306 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -102.1 -85.96 0.43 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.128 . . . . 0.0 109.999 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 3.5 t30 -98.16 -7.75 28.83 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.52 1.138 . . . . 0.0 109.292 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -74.57 -30.19 61.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.14 . . . . 0.0 109.301 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' CYS . . . . . 0.439 ' CB ' ' CD ' ' A' ' 58' ' ' PRO . 0.0 OUTLIER -74.84 175.19 4.21 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.137 . . . . 0.0 108.3 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.439 ' CD ' ' CB ' ' A' ' 57' ' ' CYS . 18.5 Cg_endo -74.95 0.6 8.68 Favored 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.538 1.809 . . . . 0.0 111.024 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -79.59 150.96 30.88 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.113 . . . . 0.0 109.31 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.113 . . . . 0.0 109.285 -179.992 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 21.6 m-20 . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -95.95 -39.05 9.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.118 . . . . 0.0 109.279 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 5.4 tm-20 -53.66 -31.21 46.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 110.284 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -74.07 -4.19 34.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 109.32 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.494 ' CB ' HG21 ' A' ' 44' ' ' VAL . 12.5 m-85 -128.17 13.12 6.67 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.14 . . . . 0.0 110.98 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.542 ' CG ' ' HB3' ' A' ' 17' ' ' SER . 4.6 t80 -78.44 142.32 37.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 111.008 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.424 ' OG1' ' CG2' ' A' ' 10' ' ' THR . 38.4 p -125.94 88.22 2.82 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.43 1.081 . . . . 0.0 110.354 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.24 -11.76 44.42 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 110.003 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -68.95 -48.56 62.89 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.458 1.099 . . . . 0.0 110.328 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.946 HG23 ' O ' ' A' ' 38' ' ' GLN . 0.5 OUTLIER -94.21 -29.23 15.21 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.496 1.122 . . . . 0.0 110.376 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.407 ' SG ' ' CB ' ' A' ' 20' ' ' ALA . 6.1 t -64.37 136.4 96.74 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.5 1.125 . . . . 0.0 108.32 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -13.54 21.38 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.47 1.774 . . . . 0.0 110.98 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.588 ' HB3' HD23 ' A' ' 19' ' ' LEU . 99.7 m-85 -111.1 135.98 50.82 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.486 1.116 . . . . 0.0 111.013 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.22 32.57 5.96 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.117 . . . . 0.0 109.273 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ASN . . . . . 0.859 ' HB3' HD22 ' A' ' 19' ' ' LEU . 49.5 t30 -95.71 -60.56 1.62 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.544 1.153 . . . . 0.0 109.338 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -165.81 156.04 12.86 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 109.257 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.542 ' HB3' ' CG ' ' A' ' 6' ' ' TYR . 36.3 p -63.91 -34.17 77.36 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 109.998 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 12.2 mt-30 -66.94 -32.57 73.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 110.294 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.859 HD22 ' HB3' ' A' ' 15' ' ' ASN . 7.9 tp -62.79 -64.97 0.76 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 109.313 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.512 ' HB1' ' SG ' ' A' ' 39' ' ' CYS . . . -56.55 -33.56 66.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.547 1.154 . . . . 0.0 109.303 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' TRP . . . . . 0.524 ' CE2' ' HB2' ' A' ' 25' ' ' SER . 19.0 t-105 -66.48 -44.98 81.18 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 107.996 -1.113 . . . . 0.0 107.996 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 11.7 t0 -65.68 -23.59 66.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.272 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.414 ' HB ' ' O ' ' A' ' 20' ' ' ALA . 0.9 OUTLIER -71.03 -64.16 0.96 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 110.421 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.418 ' O ' ' CB ' ' A' ' 31' ' ' CYS . 0.0 OUTLIER -82.64 -60.29 2.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.13 . . . . 0.0 108.306 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.524 ' HB2' ' CE2' ' A' ' 21' ' ' TRP . 0.1 OUTLIER -76.48 54.04 0.9 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 109.97 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -136.64 -127.76 2.65 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.529 1.143 . . . . 0.0 111.007 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -105.28 -53.75 0.77 Allowed Glycine 0 CA--C 1.529 0.961 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 69.1 p -125.94 -152.56 0.52 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 0.743 . . . . 0.0 110.393 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 89.34 -124.67 7.46 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.53 1.144 . . . . 0.0 110.958 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -122.91 58.09 1.1 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 0.782 . . . . 0.0 109.243 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.418 ' CB ' ' O ' ' A' ' 24' ' ' CYS . 10.3 p -76.18 131.69 39.51 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 108.306 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -176.24 -179.55 46.77 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.536 1.148 . . . . 0.0 111.042 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.448 ' HA ' ' SG ' ' A' ' 36' ' ' CYS . 93.8 m -85.1 -4.44 59.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 0.781 . . . . 0.0 110.393 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.486 ' O ' ' HB2' ' A' ' 38' ' ' GLN . 63.0 t -82.49 -34.71 12.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.551 1.157 . . . . 0.0 109.333 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -63.17 -13.3 35.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 108.258 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.674 ' SG ' ' HB2' ' A' ' 49' ' ' ALA . 72.5 m -54.72 -78.24 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 108.321 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -87.07 42.07 3.13 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.558 1.161 . . . . 0.0 111.003 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.946 ' O ' HG23 ' A' ' 10' ' ' THR . 6.4 tp60 -123.06 -41.69 2.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.475 0.75 . . . . 0.0 110.348 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.512 ' SG ' ' HB1' ' A' ' 20' ' ' ALA . 17.6 m -114.32 -30.11 6.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.122 . . . . 0.0 108.283 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.499 ' CZ ' ' HB2' ' A' ' 21' ' ' TRP . 0.3 OUTLIER -133.8 -177.23 4.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.125 . . . . 0.0 110.987 -179.981 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.498 ' O ' ' HB ' ' A' ' 44' ' ' VAL . 3.1 m -140.81 157.49 45.32 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.459 1.1 . . . . 0.0 110.026 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.72 ' CD2' ' HA ' ' A' ' 43' ' ' PRO . 0.2 OUTLIER -55.04 154.7 9.68 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 111.004 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.72 ' HA ' ' CD2' ' A' ' 42' ' ' PHE . 18.3 Cg_endo -75.01 7.59 10.77 Favored 'Cis proline' 0 C--N 1.359 1.122 0 C-N-CA 121.008 -2.496 . . . . 0.0 110.997 0.031 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.498 ' HB ' ' O ' ' A' ' 41' ' ' SER . 2.1 t -70.58 -38.13 72.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.569 1.168 . . . . 0.0 109.327 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.554 ' HB3' ' N ' ' A' ' 42' ' ' PHE . 0.2 OUTLIER -52.56 -18.52 1.77 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.469 1.105 . . . . 0.0 110.02 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.591 ' HB2' ' CE1' ' A' ' 42' ' ' PHE . 1.3 tt0 -87.07 -24.16 24.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 110.28 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' SER . . . . . 0.448 ' N ' ' O ' ' A' ' 44' ' ' VAL . 0.8 OUTLIER -75.57 -38.28 59.31 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.534 1.146 . . . . 0.0 110.001 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 48' ' ' CYS . . . . . 0.413 ' O ' ' HB2' ' A' ' 52' ' ' ALA . 1.4 t -53.45 -65.1 0.62 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.473 1.108 . . . . 0.0 108.327 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.674 ' HB2' ' SG ' ' A' ' 36' ' ' CYS . . . -57.46 -18.78 20.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.344 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -79.57 -56.83 3.26 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.469 1.105 . . . . 0.0 110.999 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' MET . . . . . 0.417 ' O ' ' HA ' ' A' ' 25' ' ' SER . 6.1 tpp -86.52 21.97 2.0 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 0.76 . . . . 0.0 110.964 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.413 ' HB2' ' O ' ' A' ' 48' ' ' CYS . . . -85.86 44.15 1.1 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.131 . . . . 0.0 109.3 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.428 ' OD1' ' N ' ' A' ' 54' ' ' SER . 37.4 t0 54.29 170.84 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.122 . . . . 0.0 109.296 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.428 ' N ' ' OD1' ' A' ' 53' ' ' ASP . 0.4 OUTLIER -103.92 -90.36 0.38 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.123 . . . . 0.0 110.008 179.953 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -115.04 -9.36 12.37 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.506 1.129 . . . . 0.0 109.285 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -74.54 -3.67 32.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 109.296 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' CYS . . . . . 0.426 ' N ' ' OD2' ' A' ' 53' ' ' ASP . 0.0 OUTLIER -84.9 154.91 61.37 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.132 . . . . 0.0 108.304 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 55.85 4.1 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.481 1.78 . . . . 0.0 110.985 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 61.3 m-20 -91.56 162.54 14.48 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.526 1.141 . . . . 0.0 109.268 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.123 . . . . 0.0 109.287 179.979 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 1.5 p30 . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 1.6 pt -105.78 -42.45 6.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 109.335 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -54.0 -27.28 30.76 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.488 1.118 . . . . 0.0 110.274 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -74.57 -9.35 58.49 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.511 1.132 . . . . 0.0 109.316 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.494 ' CG ' HG21 ' A' ' 44' ' ' VAL . 13.9 m-85 -123.88 16.4 9.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.111 . . . . 0.0 111.03 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.553 ' CG ' ' HB2' ' A' ' 17' ' ' SER . 3.2 t80 -78.2 116.39 18.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 111.002 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.454 ' OG1' ' CG2' ' A' ' 10' ' ' THR . 7.2 p -105.27 90.64 3.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 110.383 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -68.6 -8.85 45.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.982 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.37 -51.3 38.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 110.294 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.943 HG23 ' O ' ' A' ' 38' ' ' GLN . 0.8 OUTLIER -91.52 -27.7 18.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 110.401 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.428 ' SG ' ' HD2' ' A' ' 12' ' ' PRO . 7.4 t -63.96 137.22 97.04 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.51 1.131 . . . . 0.0 108.337 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.428 ' HD2' ' SG ' ' A' ' 11' ' ' CYS . 18.2 Cg_endo -75.01 -24.55 12.69 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.51 1.795 . . . . 0.0 111.004 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 63.7 m-85 -109.1 -179.51 3.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 111.017 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.432 ' HG2' ' N ' ' A' ' 15' ' ' ASN . 0.0 OUTLIER -153.41 -142.42 0.12 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.443 1.09 . . . . 0.0 109.283 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ASN . . . . . 0.432 ' N ' ' HG2' ' A' ' 14' ' ' LYS . 1.0 OUTLIER 72.16 -68.76 0.21 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 109.277 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -142.75 156.78 45.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.15 . . . . 0.0 109.346 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.553 ' HB2' ' CG ' ' A' ' 6' ' ' TYR . 11.5 t -75.77 -31.85 59.69 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.507 1.129 . . . . 0.0 110.021 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 15.6 tt0 -65.51 -17.3 64.46 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.547 1.155 . . . . 0.0 110.31 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 43.6 tp -70.45 -64.95 0.8 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.542 1.151 . . . . 0.0 109.299 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.405 ' CB ' ' SG ' ' A' ' 11' ' ' CYS . . . -58.14 -32.03 67.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 109.326 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' TRP . . . . . 0.521 ' HB2' ' CZ ' ' A' ' 40' ' ' PHE . 6.0 t-105 -70.77 -37.56 73.38 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.099 . . . . 0.0 108.044 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -64.74 -13.23 54.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 109.296 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.408 ' O ' ' O ' ' A' ' 28' ' ' THR . 0.9 OUTLIER -91.03 -66.25 0.94 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.44 1.088 . . . . 0.0 110.34 -179.95 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.444 ' SG ' ' N ' ' A' ' 25' ' ' SER . 0.0 OUTLIER -67.52 -71.72 0.2 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 108.318 -179.956 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.514 ' OG ' ' CD2' ' A' ' 21' ' ' TRP . 0.0 OUTLIER -80.98 51.67 1.61 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.439 1.087 . . . . 0.0 109.993 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -120.75 4.75 11.69 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.502 1.126 . . . . 0.0 110.995 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.402 ' O ' ' OD2' ' A' ' 53' ' ' ASP . . . 99.64 -35.87 4.45 Favored Glycine 0 CA--C 1.531 1.033 0 N-CA-C 111.019 -0.832 . . . . 0.0 111.019 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.408 ' O ' ' O ' ' A' ' 23' ' ' THR . 42.7 p -135.46 -164.08 1.48 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.541 0.789 . . . . 0.0 110.382 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 85.59 -131.45 10.47 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.472 1.108 . . . . 0.0 110.989 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 44.9 p-10 -103.27 40.4 1.41 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.523 0.778 . . . . 0.0 109.308 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -59.09 138.55 57.5 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 108.29 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 170.63 -179.5 42.62 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.518 1.136 . . . . 0.0 111.011 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.416 ' O ' ' SG ' ' A' ' 36' ' ' CYS . 59.6 m -81.33 -5.01 57.38 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.562 0.801 . . . . 0.0 110.447 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.42 ' O ' ' HB2' ' A' ' 38' ' ' GLN . 69.0 t -73.98 -42.07 52.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 109.271 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -63.06 -14.68 51.14 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.473 1.108 . . . . 0.0 108.272 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.552 ' SG ' ' N ' ' A' ' 37' ' ' GLY . 0.5 OUTLIER -55.86 -53.33 58.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.105 . . . . 0.0 108.24 -179.957 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.552 ' N ' ' SG ' ' A' ' 36' ' ' CYS . . . -114.36 42.99 1.79 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.517 1.136 . . . . 0.0 111.015 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.943 ' O ' HG23 ' A' ' 10' ' ' THR . 24.1 tp60 -119.79 -40.35 2.76 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.447 0.734 . . . . 0.0 110.33 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 92.2 m -122.5 -37.29 2.8 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.539 1.149 . . . . 0.0 108.297 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.521 ' CZ ' ' HB2' ' A' ' 21' ' ' TRP . 0.6 OUTLIER -118.64 -176.87 3.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 110.984 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.528 ' O ' ' HB ' ' A' ' 44' ' ' VAL . 0.0 OUTLIER -148.17 156.03 42.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 109.979 -179.974 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.723 ' CD2' ' HA ' ' A' ' 43' ' ' PRO . 0.2 OUTLIER -54.06 154.71 7.34 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 111.043 179.948 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.723 ' HA ' ' CD2' ' A' ' 42' ' ' PHE . 18.4 Cg_endo -75.01 8.7 9.87 Favored 'Cis proline' 0 C--N 1.36 1.152 0 C-N-CA 120.999 -2.501 . . . . 0.0 110.965 0.02 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.528 ' HB ' ' O ' ' A' ' 41' ' ' SER . 2.4 t -70.06 -39.92 77.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.098 . . . . 0.0 109.298 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.493 ' HB3' ' N ' ' A' ' 42' ' ' PHE . 0.1 OUTLIER -51.72 -20.44 2.11 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.548 1.155 . . . . 0.0 109.968 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.581 ' HB2' ' CE1' ' A' ' 42' ' ' PHE . 10.4 tt0 -80.99 -32.22 34.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 110.26 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 17.7 p -76.03 -37.75 58.01 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 110.028 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' CYS . . . . . 0.448 ' O ' ' HB2' ' A' ' 52' ' ' ALA . 0.1 OUTLIER -54.2 -55.62 26.25 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.134 . . . . 0.0 108.344 179.948 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -68.76 -17.91 64.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.139 . . . . 0.0 109.285 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -77.58 -52.37 5.54 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.466 1.104 . . . . 0.0 110.986 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' MET . . . . . 0.443 ' CB ' ' CZ2' ' A' ' 21' ' ' TRP . 0.8 OUTLIER -84.99 13.87 5.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 0.762 . . . . 0.0 110.99 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.448 ' HB2' ' O ' ' A' ' 48' ' ' CYS . . . -91.12 31.25 1.12 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.301 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.402 ' OD2' ' O ' ' A' ' 27' ' ' GLY . 2.8 m-20 57.6 161.53 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.315 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -100.26 -86.39 0.39 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.453 1.096 . . . . 0.0 109.992 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -105.21 -7.16 19.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 109.285 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 13.7 t0 -74.3 -18.38 60.72 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.512 1.133 . . . . 0.0 109.276 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' CYS . . . . . 0.419 ' CB ' ' CD ' ' A' ' 58' ' ' PRO . 0.0 OUTLIER -76.08 174.6 5.34 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.459 1.099 . . . . 0.0 108.319 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.419 ' CD ' ' CB ' ' A' ' 57' ' ' CYS . 18.1 Cg_endo -75.05 0.1 9.34 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.506 1.793 . . . . 0.0 110.975 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 23.5 m120 -81.91 148.83 28.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 109.32 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 109.3 -179.998 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 81.3 m-20 . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -110.9 -35.67 2.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 109.272 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -55.85 -32.22 63.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.11 . . . . 0.0 110.303 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -74.05 -4.42 35.35 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.112 . . . . 0.0 109.333 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 20.6 m-85 -128.0 18.06 6.66 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 0.0 111.014 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.538 ' CG ' ' HB3' ' A' ' 17' ' ' SER . 5.0 t80 -78.73 134.83 37.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 111.016 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.465 ' N ' ' O ' ' A' ' 39' ' ' CYS . 19.6 p -121.82 89.22 3.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.45 1.094 . . . . 0.0 110.443 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -67.44 -9.63 43.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.987 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -68.46 -50.73 50.35 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.132 . . . . 0.0 110.27 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.901 HG23 ' O ' ' A' ' 38' ' ' GLN . 0.6 OUTLIER -93.94 -28.71 15.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 110.426 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.502 ' SG ' ' CB ' ' A' ' 20' ' ' ALA . 7.9 t -64.55 137.67 97.21 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 108.299 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.569 ' HG2' ' CE2' ' A' ' 13' ' ' TYR . 18.3 Cg_endo -74.99 -4.21 15.07 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.511 1.795 . . . . 0.0 111.0 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.569 ' CE2' ' HG2' ' A' ' 12' ' ' PRO . 28.2 m-85 -124.21 149.23 46.61 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.576 1.172 . . . . 0.0 111.003 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.453 ' HD3' ' N ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -139.32 27.77 2.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 0.0 109.3 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -94.92 -43.68 8.07 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.448 1.092 . . . . 0.0 109.334 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -165.49 155.03 12.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 109.268 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.538 ' HB3' ' CG ' ' A' ' 6' ' ' TYR . 1.8 p -72.99 -33.79 66.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.967 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 76.1 mt-30 -73.1 -26.91 61.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 110.296 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.731 HD13 ' N ' ' A' ' 20' ' ' ALA . 0.3 OUTLIER -62.73 -57.4 11.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 0.0 109.325 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.731 ' N ' HD13 ' A' ' 19' ' ' LEU . . . -61.1 -34.41 74.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 109.312 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' TRP . . . . . 0.543 ' HB2' ' CZ ' ' A' ' 40' ' ' PHE . 9.5 t-105 -68.03 -43.69 78.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.133 . . . . 0.0 107.992 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -65.49 -14.0 60.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.113 . . . . 0.0 109.292 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.511 HG22 ' N ' ' A' ' 24' ' ' CYS . 0.6 OUTLIER -80.44 -58.0 3.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.44 1.088 . . . . 0.0 110.385 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.511 ' N ' HG22 ' A' ' 23' ' ' THR . 0.0 OUTLIER -87.31 -68.38 0.76 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.13 . . . . 0.0 108.303 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.533 ' HB2' ' CE2' ' A' ' 21' ' ' TRP . 0.1 OUTLIER -80.32 51.89 1.5 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.115 . . . . 0.0 109.981 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -125.94 5.25 7.89 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.486 1.116 . . . . 0.0 111.019 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.407 ' O ' ' SG ' ' A' ' 57' ' ' CYS . . . 104.87 -45.56 1.29 Allowed Glycine 0 CA--C 1.531 1.057 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 81.9 p -130.05 -171.65 2.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 0.776 . . . . 0.0 110.406 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 94.04 -130.67 10.41 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.507 1.129 . . . . 0.0 111.035 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 5.8 p30 -103.1 37.36 1.99 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 0.786 . . . . 0.0 109.296 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.4 ' SG ' ' O ' ' A' ' 52' ' ' ALA . 0.7 OUTLIER -54.9 133.78 48.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 108.284 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 179.48 177.95 48.09 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.501 1.126 . . . . 0.0 110.991 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.453 ' HA ' ' SG ' ' A' ' 36' ' ' CYS . 96.2 m -85.16 -5.41 59.33 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.522 0.778 . . . . 0.0 110.401 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.466 ' O ' ' HB2' ' A' ' 38' ' ' GLN . 97.5 t -81.34 -34.22 13.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.484 1.115 . . . . 0.0 109.285 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -62.77 -14.67 47.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.149 . . . . 0.0 108.343 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.667 ' SG ' ' HB2' ' A' ' 49' ' ' ALA . 61.4 m -55.99 -76.47 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.548 1.155 . . . . 0.0 108.302 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -88.1 44.14 3.19 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.498 1.124 . . . . 0.0 111.025 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.901 ' O ' HG23 ' A' ' 10' ' ' THR . 3.8 tt0 -121.09 -35.17 3.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 0.777 . . . . 0.0 110.32 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.465 ' O ' ' N ' ' A' ' 7' ' ' THR . 71.1 m -126.55 -44.13 1.7 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.123 . . . . 0.0 108.297 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.543 ' CZ ' ' HB2' ' A' ' 21' ' ' TRP . 0.4 OUTLIER -112.74 178.61 4.23 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 0.0 110.955 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.496 ' O ' ' HB ' ' A' ' 44' ' ' VAL . 1.2 p -139.27 158.06 44.83 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.522 1.139 . . . . 0.0 109.959 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.706 ' CD2' ' HA ' ' A' ' 43' ' ' PRO . 0.2 OUTLIER -54.75 154.83 8.71 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 111.039 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.706 ' HA ' ' CD2' ' A' ' 42' ' ' PHE . 18.4 Cg_endo -74.99 7.82 10.53 Favored 'Cis proline' 0 C--N 1.359 1.114 0 C-N-CA 120.991 -2.504 . . . . 0.0 111.036 0.021 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.496 ' HB ' ' O ' ' A' ' 41' ' ' SER . 2.1 t -70.43 -38.68 74.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 109.358 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.543 ' HB3' ' N ' ' A' ' 42' ' ' PHE . 0.2 OUTLIER -52.73 -18.62 1.92 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 0.0 110.007 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.602 ' HB2' ' CE1' ' A' ' 42' ' ' PHE . 3.7 tt0 -86.5 -24.62 25.49 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.524 1.14 . . . . 0.0 110.296 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.7 m -75.25 -37.81 60.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 110.002 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' CYS . . . . . 0.499 ' O ' ' HB2' ' A' ' 52' ' ' ALA . 0.8 OUTLIER -53.86 -63.05 1.27 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 108.296 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.667 ' HB2' ' SG ' ' A' ' 36' ' ' CYS . . . -60.49 -15.93 31.86 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.117 . . . . 0.0 109.325 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -82.48 -55.53 3.01 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.438 1.086 . . . . 0.0 110.998 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' MET . . . . . 0.519 ' CB ' ' CZ2' ' A' ' 21' ' ' TRP . 0.0 OUTLIER -85.38 15.05 4.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 0.785 . . . . 0.0 111.039 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.499 ' HB2' ' O ' ' A' ' 48' ' ' CYS . . . -89.25 21.54 3.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 109.266 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.422 ' O ' ' O ' ' A' ' 52' ' ' ALA . 7.5 m-20 59.53 152.47 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.12 . . . . 0.0 109.244 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -105.68 -85.76 0.48 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.519 1.137 . . . . 0.0 110.013 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 3.3 t30 -90.32 -11.7 39.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 109.315 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -74.71 -30.37 61.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 109.31 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' CYS . . . . . 0.407 ' SG ' ' O ' ' A' ' 27' ' ' GLY . 0.1 OUTLIER -81.85 170.26 15.7 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 108.29 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 56.48 4.24 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.469 1.773 . . . . 0.0 111.041 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -99.87 -158.8 0.7 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 109.285 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.33 179.999 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -84.65 -30.71 7.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.13 . . . . 0.0 109.326 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -60.32 -31.0 69.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 0.0 110.3 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 79.1 m-20 -74.11 -5.08 39.52 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.482 1.114 . . . . 0.0 109.306 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 16.3 m-85 -127.41 14.24 7.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 0.0 111.033 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.557 ' CG ' ' HB3' ' A' ' 17' ' ' SER . 4.2 t80 -78.46 128.78 34.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 110.98 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 10.2 p -114.95 89.71 3.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 110.41 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 38.2 t -71.38 -5.29 31.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 109.992 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -73.25 -48.14 37.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 110.295 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.882 HG23 ' O ' ' A' ' 38' ' ' GLN . 0.6 OUTLIER -97.52 -26.32 14.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 110.381 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.406 ' SG ' ' CB ' ' A' ' 20' ' ' ALA . 15.5 t -64.54 136.29 96.71 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.145 . . . . 0.0 108.316 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.405 ' HD2' ' SG ' ' A' ' 11' ' ' CYS . 18.4 Cg_endo -75.0 -20.6 16.71 Favored 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.53 1.805 . . . . 0.0 110.967 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.566 ' HB2' ' HB2' ' A' ' 20' ' ' ALA . 84.4 m-85 -101.48 178.22 4.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 111.006 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.461 ' O ' HD23 ' A' ' 19' ' ' LEU . 0.8 OUTLIER -155.75 -159.28 0.89 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.313 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ASN . . . . . 0.444 ' N ' ' HD2' ' A' ' 14' ' ' LYS . 1.6 t30 77.27 -67.58 0.2 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 109.284 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -143.05 160.33 40.58 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.45 1.094 . . . . 0.0 109.296 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.557 ' HB3' ' CG ' ' A' ' 6' ' ' TYR . 79.4 p -77.59 -31.4 53.03 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.5 1.125 . . . . 0.0 110.046 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 19.0 mt-30 -65.11 -18.85 65.65 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.512 1.132 . . . . 0.0 110.308 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.461 HD23 ' O ' ' A' ' 14' ' ' LYS . 52.6 tp -69.45 -55.18 11.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.295 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.566 ' HB2' ' HB2' ' A' ' 13' ' ' TYR . . . -67.94 -34.19 76.11 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.546 1.154 . . . . 0.0 109.329 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' TRP . . . . . 0.584 ' CZ2' ' CB ' ' A' ' 51' ' ' MET . 7.4 t-105 -68.69 -37.85 79.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.106 . . . . 0.0 108.025 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -65.11 -14.95 61.8 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 109.328 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.645 HG22 ' N ' ' A' ' 24' ' ' CYS . 0.7 OUTLIER -84.96 -68.7 0.7 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.13 . . . . 0.0 110.383 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.645 ' N ' HG22 ' A' ' 23' ' ' THR . 0.0 OUTLIER -70.14 -71.62 0.23 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.462 1.101 . . . . 0.0 108.287 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.527 ' HB2' ' CE2' ' A' ' 21' ' ' TRP . 0.1 OUTLIER -77.83 52.73 1.06 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 109.977 180.0 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -125.93 3.93 7.94 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.523 1.139 . . . . 0.0 110.988 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.404 ' O ' ' SG ' ' A' ' 57' ' ' CYS . . . 105.17 -41.43 2.16 Favored Glycine 0 CA--C 1.53 0.987 0 N-CA-C 111.016 -0.833 . . . . 0.0 111.016 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.401 ' O ' ' O ' ' A' ' 23' ' ' THR . 62.3 p -132.0 -159.33 0.96 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.561 0.801 . . . . 0.0 110.398 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 84.39 -127.51 8.16 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.475 1.109 . . . . 0.0 111.025 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 1.3 p-10 -109.66 43.36 1.33 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 0.756 . . . . 0.0 109.331 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.402 ' SG ' ' O ' ' A' ' 52' ' ' ALA . 0.7 OUTLIER -61.39 131.2 49.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 108.3 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -177.21 -177.75 46.36 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.474 1.109 . . . . 0.0 110.997 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.457 ' HA ' ' SG ' ' A' ' 36' ' ' CYS . 96.5 m -85.14 -6.28 59.3 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 0.774 . . . . 0.0 110.388 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.5 ' O ' ' HB2' ' A' ' 38' ' ' GLN . 70.6 t -81.43 -34.28 13.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 0.0 109.323 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -62.79 -18.56 62.91 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.458 1.099 . . . . 0.0 108.326 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.734 ' SG ' ' HB2' ' A' ' 49' ' ' ALA . 63.4 m -54.64 -77.14 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.119 . . . . 0.0 108.296 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -87.11 48.0 3.76 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.518 1.136 . . . . 0.0 110.991 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.882 ' O ' HG23 ' A' ' 10' ' ' THR . 2.5 tp60 -120.98 -50.23 2.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 0.769 . . . . 0.0 110.321 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.404 ' SG ' ' HD2' ' A' ' 12' ' ' PRO . 75.4 m -115.05 -34.74 4.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.559 1.162 . . . . 0.0 108.326 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.559 ' CZ ' ' HB2' ' A' ' 21' ' ' TRP . 0.9 OUTLIER -118.74 177.28 4.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 110.963 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.489 ' O ' ' HB ' ' A' ' 44' ' ' VAL . 0.3 OUTLIER -140.8 158.9 43.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.532 1.145 . . . . 0.0 109.967 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.712 ' CD2' ' HA ' ' A' ' 43' ' ' PRO . 0.2 OUTLIER -55.05 154.85 9.43 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 110.982 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.712 ' HA ' ' CD2' ' A' ' 42' ' ' PHE . 18.4 Cg_endo -74.96 7.58 10.67 Favored 'Cis proline' 0 C--N 1.36 1.17 0 C-N-CA 121.01 -2.496 . . . . 0.0 111.019 -0.027 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.489 ' HB ' ' O ' ' A' ' 41' ' ' SER . 2.1 t -70.56 -38.21 72.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 109.299 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.553 ' HB3' ' N ' ' A' ' 42' ' ' PHE . 0.2 OUTLIER -52.33 -18.78 1.73 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.43 1.081 . . . . 0.0 110.01 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.601 ' HB2' ' CE1' ' A' ' 42' ' ' PHE . 10.4 tt0 -86.6 -25.38 24.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.451 1.094 . . . . 0.0 110.298 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' SER . . . . . 0.421 ' N ' ' O ' ' A' ' 44' ' ' VAL . 3.4 m -75.45 -37.49 60.31 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 0.0 110.024 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' CYS . . . . . 0.404 ' SG ' ' N ' ' A' ' 36' ' ' CYS . 0.1 OUTLIER -53.74 -65.22 0.6 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 108.315 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.734 ' HB2' ' SG ' ' A' ' 36' ' ' CYS . . . -58.8 -16.84 18.94 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 109.286 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -80.93 -54.24 3.69 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.504 1.128 . . . . 0.0 111.018 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' MET . . . . . 0.584 ' CB ' ' CZ2' ' A' ' 21' ' ' TRP . 0.0 OUTLIER -85.35 15.51 4.34 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 0.747 . . . . 0.0 110.962 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.402 ' O ' ' SG ' ' A' ' 31' ' ' CYS . . . -89.49 22.74 2.84 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.474 1.109 . . . . 0.0 109.234 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.401 ' O ' ' O ' ' A' ' 52' ' ' ALA . 2.3 m-20 60.11 151.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.154 . . . . 0.0 109.274 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -103.37 -86.08 0.44 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 110.002 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 5.3 t-20 -89.29 -11.71 42.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 109.284 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -75.0 -32.56 61.68 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 109.324 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' CYS . . . . . 0.404 ' SG ' ' O ' ' A' ' 27' ' ' GLY . 0.1 OUTLIER -75.81 160.4 78.94 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.139 . . . . 0.0 108.277 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 55.49 3.97 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.467 1.772 . . . . 0.0 110.982 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 28.4 m120 -91.04 165.12 13.69 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.476 1.11 . . . . 0.0 109.306 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.442 1.089 . . . . 0.0 109.296 179.981 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 5.7 t70 . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -91.66 -35.09 6.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.33 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.61 -30.58 63.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.549 1.156 . . . . 0.0 110.288 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 37.5 m-20 -74.06 -4.79 37.67 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.481 1.113 . . . . 0.0 109.32 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 12.3 m-85 -126.87 17.55 7.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.554 1.159 . . . . 0.0 110.985 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.527 ' CG ' ' HB3' ' A' ' 17' ' ' SER . 5.0 t80 -78.61 128.44 33.5 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.52 1.138 . . . . 0.0 110.992 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.408 ' N ' ' O ' ' A' ' 39' ' ' CYS . 9.8 p -116.55 91.29 3.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.553 1.158 . . . . 0.0 110.399 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.401 ' OG ' ' HA ' ' A' ' 14' ' ' LYS . 0.1 OUTLIER -70.9 -5.83 33.7 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 110.011 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -71.63 -43.91 65.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.447 1.092 . . . . 0.0 110.311 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.929 HG23 ' O ' ' A' ' 38' ' ' GLN . 0.4 OUTLIER -102.05 -27.88 12.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 0.0 110.388 -179.96 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.488 ' SG ' ' CB ' ' A' ' 20' ' ' ALA . 8.4 t -64.61 137.48 97.15 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 108.284 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.536 ' HG2' ' CE2' ' A' ' 13' ' ' TYR . 18.3 Cg_endo -74.97 -5.19 16.48 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.52 1.8 . . . . 0.0 111.042 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.577 ' HB3' HD12 ' A' ' 19' ' ' LEU . 24.7 m-85 -122.75 148.65 45.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.135 . . . . 0.0 110.977 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.463 ' HD3' ' N ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -140.01 28.35 2.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.113 . . . . 0.0 109.303 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -96.96 -42.64 7.82 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 109.287 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -165.51 152.4 10.24 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.528 1.142 . . . . 0.0 109.313 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.527 ' HB3' ' CG ' ' A' ' 6' ' ' TYR . 1.6 p -71.42 -35.26 70.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 109.971 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.407 ' O ' ' N ' ' A' ' 22' ' ' ASP . 5.2 mt-30 -70.93 -27.25 63.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 110.294 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.72 HD13 ' N ' ' A' ' 20' ' ' ALA . 0.3 OUTLIER -62.53 -57.31 11.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.547 1.154 . . . . 0.0 109.339 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.72 ' N ' HD13 ' A' ' 19' ' ' LEU . . . -59.89 -34.23 72.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 0.0 109.294 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' TRP . . . . . 0.59 ' CZ2' ' CB ' ' A' ' 51' ' ' MET . 7.1 t-105 -70.68 -40.08 73.15 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 107.987 -1.116 . . . . 0.0 107.987 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.407 ' N ' ' O ' ' A' ' 18' ' ' GLN . 0.4 OUTLIER -64.6 -13.44 53.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 109.264 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.688 HG22 ' N ' ' A' ' 24' ' ' CYS . 0.7 OUTLIER -83.99 -70.15 0.59 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 110.408 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.688 ' N ' HG22 ' A' ' 23' ' ' THR . 0.0 OUTLIER -70.25 -70.53 0.29 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 108.314 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.446 ' N ' ' SG ' ' A' ' 24' ' ' CYS . 0.0 OUTLIER -77.42 52.1 0.92 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 109.989 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -126.67 -0.84 7.16 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.469 1.106 . . . . 0.0 110.983 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 101.31 -46.23 1.31 Allowed Glycine 0 CA--C 1.531 1.043 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.411 ' O ' ' O ' ' A' ' 23' ' ' THR . 75.7 p -122.26 -171.74 2.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 0.776 . . . . 0.0 110.434 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 91.96 -105.83 3.33 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.474 1.109 . . . . 0.0 111.004 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 1.1 p-10 -140.94 51.94 1.61 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 0.748 . . . . 0.0 109.3 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.504 ' CB ' ' O ' ' A' ' 24' ' ' CYS . 1.2 p -67.07 141.88 57.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.558 1.161 . . . . 0.0 108.279 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 179.75 -179.43 48.83 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.493 1.121 . . . . 0.0 110.978 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.471 ' HA ' ' SG ' ' A' ' 36' ' ' CYS . 52.5 m -85.41 -5.98 59.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 0.77 . . . . 0.0 110.425 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.452 ' O ' ' HB2' ' A' ' 38' ' ' GLN . 60.4 t -79.64 -35.68 16.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.272 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -62.7 -14.75 47.79 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.134 . . . . 0.0 108.334 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.706 ' SG ' ' HB2' ' A' ' 49' ' ' ALA . 85.0 m -55.84 -68.33 0.21 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 108.303 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -98.22 45.84 1.62 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.437 1.086 . . . . 0.0 111.002 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.929 ' O ' HG23 ' A' ' 10' ' ' THR . 8.1 tp60 -121.28 -36.8 3.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 0.762 . . . . 0.0 110.296 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.427 ' HA ' ' HB2' ' A' ' 11' ' ' CYS . 71.8 m -125.46 -39.43 2.18 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 108.275 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.562 ' CZ ' ' HB2' ' A' ' 21' ' ' TRP . 0.6 OUTLIER -116.3 177.98 4.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 111.023 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.513 ' O ' ' HB ' ' A' ' 44' ' ' VAL . 0.0 OUTLIER -139.94 158.02 44.75 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 110.017 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.696 ' CD2' ' HA ' ' A' ' 43' ' ' PRO . 0.2 OUTLIER -55.05 154.86 9.42 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 110.982 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.696 ' HA ' ' CD2' ' A' ' 42' ' ' PHE . 18.2 Cg_endo -75.01 8.35 10.14 Favored 'Cis proline' 0 C--N 1.36 1.172 0 C-N-CA 121.035 -2.485 . . . . 0.0 110.959 0.004 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.513 ' HB ' ' O ' ' A' ' 41' ' ' SER . 2.1 t -70.91 -38.52 72.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.537 1.148 . . . . 0.0 109.288 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.545 ' HB3' ' N ' ' A' ' 42' ' ' PHE . 0.1 OUTLIER -52.73 -18.42 1.82 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.464 1.103 . . . . 0.0 109.966 -179.945 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.584 ' HB2' ' CE1' ' A' ' 42' ' ' PHE . 0.5 OUTLIER -87.59 -25.01 23.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.531 1.145 . . . . 0.0 110.294 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 47' ' ' SER . . . . . 0.435 ' N ' ' O ' ' A' ' 44' ' ' VAL . 3.9 m -75.19 -37.53 61.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 110.022 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -53.15 -68.16 0.19 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.471 1.107 . . . . 0.0 108.319 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.706 ' HB2' ' SG ' ' A' ' 36' ' ' CYS . . . -55.36 -19.38 8.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.101 . . . . 0.0 109.288 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -78.03 -52.78 5.16 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.507 1.129 . . . . 0.0 111.005 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' MET . . . . . 0.59 ' CB ' ' CZ2' ' A' ' 21' ' ' TRP . 0.0 OUTLIER -85.65 16.89 3.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 0.765 . . . . 0.0 111.011 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.407 ' O ' ' O ' ' A' ' 53' ' ' ASP . . . -88.84 20.19 3.66 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.46 1.1 . . . . 0.0 109.334 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.469 ' OD1' ' N ' ' A' ' 54' ' ' SER . 0.3 OUTLIER 50.12 -179.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 109.305 -179.971 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.469 ' N ' ' OD1' ' A' ' 53' ' ' ASP . 0.6 OUTLIER -119.42 -81.77 0.64 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 110.029 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -93.46 -4.97 50.27 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 0.0 109.309 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.466 ' N ' ' OD1' ' A' ' 56' ' ' ASP . 0.0 OUTLIER -73.38 -16.95 61.32 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.508 1.13 . . . . 0.0 109.333 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 57' ' ' CYS . . . . . 0.457 ' N ' ' OD1' ' A' ' 53' ' ' ASP . 0.1 OUTLIER -85.24 151.71 57.12 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 108.356 179.964 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 57.25 4.53 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.473 1.775 . . . . 0.0 110.966 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 95.3 m-20 -102.29 -178.74 3.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.556 1.16 . . . . 0.0 109.263 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.447 1.092 . . . . 0.0 109.344 179.953 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 109.319 -0.622 . . . . 0.0 109.319 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -97.11 -35.5 5.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 109.303 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -54.25 -29.53 47.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 110.298 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -74.69 -11.22 60.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 109.269 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.674 ' CG ' HG21 ' A' ' 44' ' ' VAL . 20.7 m-85 -122.58 17.25 10.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.145 . . . . 0.0 110.998 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.516 ' CD2' ' HB3' ' A' ' 17' ' ' SER . 1.1 t80 -78.07 115.71 18.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.115 . . . . 0.0 110.993 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.402 ' O ' ' HB2' ' A' ' 11' ' ' CYS . 69.7 p -98.83 83.85 3.01 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.571 1.169 . . . . 0.0 110.362 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -67.89 -7.65 30.01 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.537 1.148 . . . . 0.0 110.019 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -72.32 -53.98 10.83 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 110.289 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.847 HG23 ' O ' ' A' ' 38' ' ' GLN . 0.1 OUTLIER -90.54 -27.83 18.91 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 110.339 -179.942 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.481 ' SG ' ' CB ' ' A' ' 20' ' ' ALA . 10.9 t -64.18 136.47 96.76 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.125 . . . . 0.0 108.274 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.406 ' HD2' ' SG ' ' A' ' 11' ' ' CYS . 18.3 Cg_endo -74.99 -3.93 14.66 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.546 1.814 . . . . 0.0 111.004 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.41 ' HB2' ' HB2' ' A' ' 20' ' ' ALA . 73.1 m-85 -118.67 163.84 16.24 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 111.034 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.417 ' HD3' ' N ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -155.12 25.19 0.42 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 109.325 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ASN . . . . . 0.549 ' O ' ' CB ' ' A' ' 16' ' ' ASP . 13.0 m-20 -117.37 63.65 0.73 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 109.295 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.549 ' CB ' ' O ' ' A' ' 15' ' ' ASN . 4.4 t0 85.43 133.93 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.258 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.516 ' HB3' ' CD2' ' A' ' 6' ' ' TYR . 68.6 p -63.88 -27.89 69.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 110.028 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 49.9 mt-30 -64.37 -17.79 64.06 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.537 1.148 . . . . 0.0 110.28 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 64.7 tp -75.76 -62.28 1.64 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.543 1.152 . . . . 0.0 109.348 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.481 ' CB ' ' SG ' ' A' ' 11' ' ' CYS . . . -61.6 -30.96 71.02 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.518 1.137 . . . . 0.0 109.278 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' TRP . . . . . 0.53 ' CE2' ' HB2' ' A' ' 25' ' ' SER . 6.5 t-105 -73.91 -38.98 64.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 107.978 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -66.11 -11.27 47.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 0.0 109.33 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.679 HG22 ' N ' ' A' ' 24' ' ' CYS . 0.8 OUTLIER -86.87 -73.62 0.46 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 110.401 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.679 ' N ' HG22 ' A' ' 23' ' ' THR . 0.0 OUTLIER -67.91 -60.03 2.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 108.282 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.53 ' HB2' ' CE2' ' A' ' 21' ' ' TRP . 0.0 OUTLIER -78.88 52.31 1.23 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.493 1.12 . . . . 0.0 109.995 -179.975 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -134.41 -135.01 3.47 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.489 1.118 . . . . 0.0 111.045 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -105.07 -44.01 1.56 Allowed Glycine 0 CA--C 1.529 0.942 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 75.2 p -130.48 -159.24 0.95 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.475 0.75 . . . . 0.0 110.375 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 92.99 -115.83 4.98 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.514 1.134 . . . . 0.0 111.028 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -136.11 64.86 1.55 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.521 0.777 . . . . 0.0 109.273 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.438 ' CB ' ' O ' ' A' ' 24' ' ' CYS . 10.4 p -78.78 137.59 37.81 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.112 . . . . 0.0 108.325 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 173.41 -175.07 46.22 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.515 1.134 . . . . 0.0 111.0 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.421 ' O ' ' SG ' ' A' ' 36' ' ' CYS . 65.3 m -84.9 -4.47 59.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 0.767 . . . . 0.0 110.402 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.433 ' O ' ' HB2' ' A' ' 38' ' ' GLN . 74.1 t -74.2 -44.19 49.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 109.287 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -63.15 -14.7 51.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.553 1.158 . . . . 0.0 108.298 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.549 ' SG ' ' N ' ' A' ' 37' ' ' GLY . 0.5 OUTLIER -54.77 -53.08 59.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 108.34 179.988 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.549 ' N ' ' SG ' ' A' ' 36' ' ' CYS . . . -113.79 41.8 2.11 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.492 1.12 . . . . 0.0 111.013 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.847 ' O ' HG23 ' A' ' 10' ' ' THR . 5.3 tp60 -119.98 -50.09 2.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 0.767 . . . . 0.0 110.311 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.401 ' SG ' ' HD2' ' A' ' 12' ' ' PRO . 87.8 m -111.78 -23.24 10.71 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.491 1.119 . . . . 0.0 108.279 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.425 ' O ' ' O ' ' A' ' 36' ' ' CYS . 0.7 OUTLIER -135.34 -176.17 4.18 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.132 . . . . 0.0 110.94 180.0 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.498 ' C ' ' H ' ' A' ' 45' ' ' SER . 0.9 OUTLIER -150.54 157.13 42.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 110.001 -179.972 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.746 ' CD2' ' HA ' ' A' ' 43' ' ' PRO . 0.2 OUTLIER -54.45 154.61 8.39 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.547 1.155 . . . . 0.0 111.005 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.746 ' HA ' ' CD2' ' A' ' 42' ' ' PHE . 18.4 Cg_endo -75.0 7.92 10.46 Favored 'Cis proline' 0 C--N 1.359 1.126 0 C-N-CA 121.032 -2.487 . . . . 0.0 110.955 0.046 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.674 HG21 ' CG ' ' A' ' 5' ' ' PHE . 2.1 t -70.75 -38.92 74.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 109.322 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.498 ' H ' ' C ' ' A' ' 41' ' ' SER . 0.4 OUTLIER -51.73 -25.42 7.39 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.48 1.112 . . . . 0.0 109.996 -179.974 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.569 ' HB2' ' CE1' ' A' ' 42' ' ' PHE . 1.9 tt0 -74.45 -30.77 62.02 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.514 1.134 . . . . 0.0 110.279 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -76.39 -38.66 55.38 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.538 1.149 . . . . 0.0 109.981 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' CYS . . . . . 0.657 ' O ' ' HB2' ' A' ' 52' ' ' ALA . 0.3 OUTLIER -53.92 -45.35 71.16 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 108.275 -179.971 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -76.08 -22.73 55.29 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.105 . . . . 0.0 109.307 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -76.22 -53.82 5.47 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.549 1.155 . . . . 0.0 111.003 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' MET . . . . . 0.402 ' O ' ' HA ' ' A' ' 25' ' ' SER . 2.2 tpt -86.23 21.64 1.99 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 0.762 . . . . 0.0 111.018 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.657 ' HB2' ' O ' ' A' ' 48' ' ' CYS . . . -87.65 42.3 1.04 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.106 . . . . 0.0 109.312 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.426 ' OD1' ' N ' ' A' ' 54' ' ' SER . 35.0 t0 54.42 170.42 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 0.0 109.303 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.426 ' N ' ' OD1' ' A' ' 53' ' ' ASP . 0.4 OUTLIER -104.06 -89.73 0.4 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.491 1.12 . . . . 0.0 109.999 -179.972 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 4.5 t30 -113.87 -9.2 13.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.147 . . . . 0.0 109.298 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 22.9 m-20 -74.84 -4.15 36.12 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 109.272 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' CYS . . . . . 0.41 ' N ' ' OD2' ' A' ' 53' ' ' ASP . 0.1 OUTLIER -81.58 151.05 67.9 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.135 . . . . 0.0 108.265 -179.968 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 57.81 4.68 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.475 1.776 . . . . 0.0 110.975 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 8.1 m120 -93.17 163.73 13.52 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.486 1.116 . . . . 0.0 109.289 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 109.289 179.95 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 . . . . . 0 N--CA 1.452 -0.333 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -101.5 -36.02 4.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.125 . . . . 0.0 109.294 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -54.33 -28.8 45.1 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.494 1.121 . . . . 0.0 110.297 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 61.8 m-20 -74.6 -11.17 60.13 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 109.358 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.58 ' CG ' HG21 ' A' ' 44' ' ' VAL . 14.3 m-85 -123.25 16.95 9.86 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.48 1.113 . . . . 0.0 110.993 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.527 ' CD2' ' HB3' ' A' ' 17' ' ' SER . 1.4 t80 -77.86 122.23 25.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 0.0 110.989 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 72.0 p -106.25 86.87 2.43 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.526 1.141 . . . . 0.0 110.418 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.26 -5.59 28.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.144 . . . . 0.0 110.017 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -74.13 -53.07 10.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 110.291 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.826 HG23 ' O ' ' A' ' 38' ' ' GLN . 0.2 OUTLIER -91.86 -27.53 17.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 0.0 110.371 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.471 ' SG ' ' CB ' ' A' ' 20' ' ' ALA . 18.3 t -63.92 136.55 96.78 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.133 . . . . 0.0 108.3 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.411 ' HD2' ' SG ' ' A' ' 11' ' ' CYS . 18.2 Cg_endo -75.03 -1.93 11.88 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.523 1.802 . . . . 0.0 110.987 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.439 ' HB2' ' HB2' ' A' ' 20' ' ' ALA . 98.2 m-85 -117.59 163.83 15.86 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.468 1.105 . . . . 0.0 110.964 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.431 ' HD3' ' N ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -155.67 30.23 0.37 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 109.347 179.969 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ASN . . . . . 0.524 ' O ' ' CB ' ' A' ' 16' ' ' ASP . 18.4 m-20 -128.76 68.88 1.38 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.555 1.16 . . . . 0.0 109.276 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.524 ' CB ' ' O ' ' A' ' 15' ' ' ASN . 3.7 t0 83.88 132.63 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.482 1.113 . . . . 0.0 109.296 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.527 ' HB3' ' CD2' ' A' ' 6' ' ' TYR . 42.9 p -65.28 -22.91 66.91 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 109.997 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.509 ' O ' ' CB ' ' A' ' 22' ' ' ASP . 40.5 mt-30 -68.6 -23.15 64.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.548 1.155 . . . . 0.0 110.293 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 51.9 tp -69.9 -55.22 10.28 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 109.309 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.471 ' CB ' ' SG ' ' A' ' 11' ' ' CYS . . . -68.92 -31.34 70.16 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.534 1.146 . . . . 0.0 109.287 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' TRP . . . . . 0.442 ' CD2' ' OG ' ' A' ' 25' ' ' SER . 7.3 t-105 -73.52 -45.74 51.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 0.0 108.03 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.509 ' CB ' ' O ' ' A' ' 18' ' ' GLN . 29.2 t0 -67.55 -9.9 46.85 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 109.346 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.466 ' CG2' ' OD1' ' A' ' 30' ' ' ASN . 0.8 OUTLIER -81.96 -54.4 5.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 110.377 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.406 ' O ' ' CB ' ' A' ' 31' ' ' CYS . 0.0 OUTLIER -91.23 -59.03 2.26 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.13 . . . . 0.0 108.332 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.442 ' OG ' ' CD2' ' A' ' 21' ' ' TRP . 0.0 OUTLIER -75.32 54.57 0.73 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 109.992 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -136.92 -119.37 1.83 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.468 1.105 . . . . 0.0 111.017 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -105.33 -54.53 0.74 Allowed Glycine 0 CA--C 1.53 0.972 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 61.0 p -135.86 -152.33 0.45 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.453 0.737 . . . . 0.0 110.394 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 92.6 -136.13 13.04 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.443 1.09 . . . . 0.0 110.99 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ASN . . . . . 0.466 ' OD1' ' CG2' ' A' ' 23' ' ' THR . 2.9 p-10 -99.17 40.19 1.23 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 0.758 . . . . 0.0 109.282 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.406 ' CB ' ' O ' ' A' ' 24' ' ' CYS . 15.5 p -69.61 129.9 40.92 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 108.305 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 178.23 -171.35 43.73 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.492 1.12 . . . . 0.0 110.989 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.442 ' HA ' ' SG ' ' A' ' 36' ' ' CYS . 87.2 m -85.25 -5.87 59.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 0.786 . . . . 0.0 110.408 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.487 ' O ' ' HB2' ' A' ' 38' ' ' GLN . 77.7 t -83.26 -34.73 11.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 109.286 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -62.82 -17.22 60.95 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.13 . . . . 0.0 108.265 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.771 ' SG ' ' HB2' ' A' ' 49' ' ' ALA . 72.2 m -54.72 -77.38 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 108.321 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -87.58 48.14 3.7 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.5 1.125 . . . . 0.0 110.992 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.826 ' O ' HG23 ' A' ' 10' ' ' THR . 4.0 tt0 -120.89 -56.08 1.96 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 0.771 . . . . 0.0 110.322 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 70.8 m -111.28 -17.98 13.04 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 0.0 108.292 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.411 ' CZ ' ' HB2' ' A' ' 21' ' ' TRP . 0.8 OUTLIER -135.25 175.83 9.23 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.534 1.147 . . . . 0.0 111.039 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.495 ' C ' ' H ' ' A' ' 45' ' ' SER . 3.1 m -141.33 158.48 43.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.544 1.153 . . . . 0.0 109.99 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.713 ' CD2' ' HA ' ' A' ' 43' ' ' PRO . 0.2 OUTLIER -55.36 154.79 10.87 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 111.021 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.713 ' HA ' ' CD2' ' A' ' 42' ' ' PHE . 18.2 Cg_endo -75.01 7.62 10.74 Favored 'Cis proline' 0 C--N 1.36 1.136 0 C-N-CA 120.989 -2.504 . . . . 0.0 110.981 0.023 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.58 HG21 ' CG ' ' A' ' 5' ' ' PHE . 2.0 t -70.65 -37.9 71.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.314 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.548 ' HB3' ' N ' ' A' ' 42' ' ' PHE . 0.2 OUTLIER -52.48 -18.24 1.59 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.138 . . . . 0.0 109.974 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.592 ' HB2' ' CE1' ' A' ' 42' ' ' PHE . 0.8 OUTLIER -87.54 -25.1 23.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.097 . . . . 0.0 110.28 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 47' ' ' SER . . . . . 0.449 ' N ' ' O ' ' A' ' 44' ' ' VAL . 0.8 OUTLIER -75.31 -38.36 60.31 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.124 . . . . 0.0 110.07 179.969 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -53.53 -66.41 0.4 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.474 1.109 . . . . 0.0 108.298 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.771 ' HB2' ' SG ' ' A' ' 36' ' ' CYS . . . -57.9 -18.21 21.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 109.295 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -78.58 -55.05 4.04 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.564 1.165 . . . . 0.0 111.037 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' MET . . . . . 0.442 ' HB3' ' CB ' ' A' ' 25' ' ' SER . 8.5 tpt -86.45 22.45 1.85 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.477 0.751 . . . . 0.0 111.037 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -86.14 45.9 1.27 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.123 . . . . 0.0 109.274 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 13.5 t0 53.8 172.5 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.451 1.094 . . . . 0.0 109.319 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -98.05 -87.71 0.33 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 109.971 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -115.14 -7.92 12.42 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.122 . . . . 0.0 109.295 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 36.3 m-20 -74.51 -6.43 48.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.557 1.16 . . . . 0.0 109.278 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -85.15 150.3 54.69 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 108.329 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 57.38 4.53 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.483 1.781 . . . . 0.0 111.02 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 12.2 m120 -86.25 168.29 14.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.303 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.551 1.157 . . . . 0.0 109.307 -179.963 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 72.0 m-20 . . . . . 0 N--CA 1.454 -0.261 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -109.81 -33.86 2.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 0.0 109.274 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -53.75 -28.75 36.28 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.462 1.101 . . . . 0.0 110.29 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 27.3 m-20 -74.4 -11.56 60.28 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 109.323 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.455 ' CG ' HG21 ' A' ' 44' ' ' VAL . 13.6 m-85 -120.82 18.06 11.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 110.998 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.559 ' CG ' ' CB ' ' A' ' 17' ' ' SER . 1.8 t80 -78.02 122.14 25.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.101 . . . . 0.0 110.998 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.414 ' O ' ' OG1' ' A' ' 7' ' ' THR . 9.2 p -109.0 89.13 2.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 110.404 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 36.0 t -75.93 -0.13 20.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 109.976 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -77.37 -41.62 39.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 110.307 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.872 HG23 ' O ' ' A' ' 38' ' ' GLN . 0.8 OUTLIER -107.38 -24.83 11.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 110.362 -179.953 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.417 ' SG ' ' CB ' ' A' ' 20' ' ' ALA . 33.9 t -64.39 136.3 96.7 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 0.0 108.326 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.408 ' HD2' ' SG ' ' A' ' 11' ' ' CYS . 18.4 Cg_endo -74.93 -1.99 11.93 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.478 1.778 . . . . 0.0 111.013 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.48 ' HB2' ' HB2' ' A' ' 20' ' ' ALA . 98.4 m-85 -123.08 148.92 45.09 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.54 1.15 . . . . 0.0 111.015 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.05 29.97 2.77 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.141 . . . . 0.0 109.329 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ASN . . . . . 0.432 ' O ' ' CB ' ' A' ' 16' ' ' ASP . 57.0 m-20 -125.51 74.16 1.38 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 109.278 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.432 ' CB ' ' O ' ' A' ' 15' ' ' ASN . 0.2 OUTLIER 76.95 126.99 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 109.304 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.559 ' CB ' ' CG ' ' A' ' 6' ' ' TYR . 0.4 OUTLIER -61.94 -21.48 64.82 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.434 1.084 . . . . 0.0 109.986 -180.0 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 22.3 tt0 -70.65 -25.28 62.94 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.462 1.101 . . . . 0.0 110.262 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.431 ' CD2' ' HB2' ' A' ' 15' ' ' ASN . 40.1 tp -66.69 -55.42 15.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 0.0 109.295 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.48 ' HB2' ' HB2' ' A' ' 13' ' ' TYR . . . -63.48 -27.87 69.57 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.486 1.116 . . . . 0.0 109.333 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' TRP . . . . . 0.562 ' HB2' ' CZ ' ' A' ' 40' ' ' PHE . 4.5 t-105 -76.3 -42.14 46.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.576 1.172 . . . . 0.0 107.982 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -64.86 -15.31 61.73 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.443 1.09 . . . . 0.0 109.328 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.414 ' O ' ' O ' ' A' ' 28' ' ' THR . 0.7 OUTLIER -83.22 -50.9 7.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 110.339 -179.95 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.435 ' SG ' ' N ' ' A' ' 25' ' ' SER . 0.0 OUTLIER -87.82 -71.63 0.56 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 108.292 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.529 ' OG ' ' CD2' ' A' ' 21' ' ' TRP . 0.0 OUTLIER -78.49 52.6 1.18 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 110.032 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -125.05 2.63 8.44 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.449 1.093 . . . . 0.0 110.995 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 102.43 -33.12 6.81 Favored Glycine 0 CA--C 1.53 0.988 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.414 ' O ' ' O ' ' A' ' 23' ' ' THR . 40.2 p -135.78 -164.22 1.51 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.445 0.733 . . . . 0.0 110.392 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 84.85 -134.3 12.53 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.458 1.099 . . . . 0.0 111.017 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ASN . . . . . 0.41 ' OD1' ' C ' ' A' ' 30' ' ' ASN . 43.9 p30 -103.59 39.74 1.55 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.54 0.788 . . . . 0.0 109.276 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.409 ' SG ' ' O ' ' A' ' 52' ' ' ALA . 0.7 OUTLIER -57.79 131.42 50.28 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 108.276 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -175.85 -176.62 44.22 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.56 1.162 . . . . 0.0 110.965 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.448 ' HA ' ' SG ' ' A' ' 36' ' ' CYS . 94.7 m -85.41 -6.57 59.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 0.79 . . . . 0.0 110.397 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.477 ' O ' ' HB2' ' A' ' 38' ' ' GLN . 89.0 t -80.87 -34.89 14.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 0.0 109.291 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -62.6 -16.72 57.91 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 0.0 108.328 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.737 ' SG ' ' HB2' ' A' ' 49' ' ' ALA . 70.6 m -55.08 -77.39 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.498 1.124 . . . . 0.0 108.333 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -87.7 49.21 3.82 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.501 1.126 . . . . 0.0 111.042 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.872 ' O ' HG23 ' A' ' 10' ' ' THR . 4.7 tt0 -120.96 -58.58 1.8 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.445 0.732 . . . . 0.0 110.315 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 62.1 m -112.43 -14.25 13.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 108.286 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.562 ' CZ ' ' HB2' ' A' ' 21' ' ' TRP . 1.1 m-85 -135.26 173.85 11.26 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 110.962 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.501 ' O ' ' HB ' ' A' ' 44' ' ' VAL . 2.3 m -141.68 157.28 45.26 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.477 1.11 . . . . 0.0 109.947 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.731 ' CD2' ' HA ' ' A' ' 43' ' ' PRO . 0.2 OUTLIER -54.51 154.36 8.93 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.108 . . . . 0.0 110.975 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.731 ' HA ' ' CD2' ' A' ' 42' ' ' PHE . 18.3 Cg_endo -74.95 7.46 10.75 Favored 'Cis proline' 0 C--N 1.36 1.178 0 C-N-CA 120.977 -2.51 . . . . 0.0 110.989 -0.06 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.501 ' HB ' ' O ' ' A' ' 41' ' ' SER . 2.1 t -70.09 -37.88 73.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 109.325 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.528 ' HB3' ' N ' ' A' ' 42' ' ' PHE . 0.2 OUTLIER -52.16 -17.88 1.27 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.559 1.162 . . . . 0.0 110.005 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.603 ' HB2' ' CE1' ' A' ' 42' ' ' PHE . 27.8 tp60 -87.29 -29.9 21.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.449 1.093 . . . . 0.0 110.328 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' SER . . . . . 0.413 ' N ' ' O ' ' A' ' 44' ' ' VAL . 2.9 t -70.62 -37.68 73.86 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.568 1.167 . . . . 0.0 109.97 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' CYS . . . . . 0.401 ' SG ' ' N ' ' A' ' 36' ' ' CYS . 0.5 OUTLIER -54.05 -67.56 0.25 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.442 1.089 . . . . 0.0 108.261 -179.964 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.737 ' HB2' ' SG ' ' A' ' 36' ' ' CYS . . . -57.45 -17.88 15.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 109.331 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -79.19 -55.12 3.83 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.509 1.13 . . . . 0.0 111.029 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' MET . . . . . 0.431 ' HB3' ' CB ' ' A' ' 25' ' ' SER . 0.0 OUTLIER -85.46 15.7 4.31 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 0.762 . . . . 0.0 110.999 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.409 ' O ' ' SG ' ' A' ' 31' ' ' CYS . . . -90.56 25.28 2.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.297 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.407 ' O ' ' O ' ' A' ' 52' ' ' ALA . 3.0 m-20 59.41 154.06 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.309 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -95.99 -80.24 0.43 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.1 . . . . 0.0 109.976 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 6.5 t30 -107.78 -7.4 16.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 109.316 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -74.31 -20.73 60.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 109.28 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' CYS . . . . . 0.435 ' CB ' ' CD ' ' A' ' 58' ' ' PRO . 0.0 OUTLIER -81.31 175.1 5.16 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 0.0 108.316 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.435 ' CD ' ' CB ' ' A' ' 57' ' ' CYS . 18.3 Cg_endo -74.98 56.91 4.39 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.516 1.798 . . . . 0.0 111.017 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 5.0 m120 -121.12 -177.38 3.49 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.512 1.133 . . . . 0.0 109.317 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.536 1.148 . . . . 0.0 109.256 -179.998 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 1.9 t0 . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.276 -0.638 . . . . 0.0 109.276 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -109.46 -36.41 2.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.104 . . . . 0.0 109.274 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -54.2 -29.88 47.71 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.531 1.145 . . . . 0.0 110.296 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -74.42 -14.69 60.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 109.309 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.636 ' CG ' HG21 ' A' ' 44' ' ' VAL . 17.1 m-85 -118.69 18.18 13.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 111.014 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.542 ' CG ' ' HB3' ' A' ' 17' ' ' SER . 4.7 t80 -78.09 126.25 30.54 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 111.021 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.414 ' O ' ' HB2' ' A' ' 11' ' ' CYS . 56.4 p -109.08 84.02 1.85 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.111 . . . . 0.0 110.392 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 22.9 t -70.37 -4.44 22.32 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.462 1.101 . . . . 0.0 110.004 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.77 -50.29 17.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.109 . . . . 0.0 110.306 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.912 HG23 ' O ' ' A' ' 38' ' ' GLN . 0.0 OUTLIER -96.08 -25.62 15.82 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 0.0 110.415 179.974 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.421 ' SG ' ' CB ' ' A' ' 20' ' ' ALA . 16.8 t -63.75 136.28 96.65 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.532 1.145 . . . . 0.0 108.319 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.403 ' HD2' ' SG ' ' A' ' 11' ' ' CYS . 18.2 Cg_endo -74.97 -6.4 18.03 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.497 1.788 . . . . 0.0 111.009 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.457 ' HB3' HD23 ' A' ' 19' ' ' LEU . 68.9 m-85 -118.69 146.7 44.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.138 . . . . 0.0 111.011 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.54 35.07 2.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.105 . . . . 0.0 109.298 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ASN . . . . . 0.614 ' HB2' HD22 ' A' ' 19' ' ' LEU . 13.8 m-20 -126.56 63.46 1.28 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.444 1.09 . . . . 0.0 109.286 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.556 ' CB ' ' O ' ' A' ' 15' ' ' ASN . 3.5 t70 86.06 145.25 0.06 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.132 . . . . 0.0 109.28 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.542 ' HB3' ' CG ' ' A' ' 6' ' ' TYR . 85.1 p -73.15 -31.83 64.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.135 . . . . 0.0 109.981 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.517 ' O ' ' CB ' ' A' ' 22' ' ' ASP . 80.9 mt-30 -63.8 -16.94 62.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 110.28 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.614 HD22 ' HB2' ' A' ' 15' ' ' ASN . 24.9 tp -73.7 -59.69 2.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.314 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.449 ' HB2' ' HB2' ' A' ' 13' ' ' TYR . . . -66.9 -26.58 66.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 109.288 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' TRP . . . . . 0.59 ' CE3' ' OG ' ' A' ' 25' ' ' SER . 5.0 t-105 -78.19 -41.96 32.94 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.122 . . . . 0.0 108.018 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.517 ' CB ' ' O ' ' A' ' 18' ' ' GLN . 3.1 t70 -64.47 -13.2 50.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.541 1.151 . . . . 0.0 109.314 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -98.85 -59.92 1.64 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 110.376 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.533 ' SG ' ' N ' ' A' ' 25' ' ' SER . 0.4 OUTLIER -66.59 -54.1 27.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 108.309 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.59 ' OG ' ' CE3' ' A' ' 21' ' ' TRP . 0.0 OUTLIER -93.6 54.5 2.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.135 . . . . 0.0 110.059 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -134.55 -154.59 7.22 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.5 1.125 . . . . 0.0 110.99 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -94.73 -22.31 23.98 Favored Glycine 0 CA--C 1.53 0.984 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 71.0 p -134.82 -152.66 0.48 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 0.751 . . . . 0.0 110.391 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 75.08 -128.24 9.83 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.491 1.119 . . . . 0.0 111.002 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -130.3 78.78 1.86 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.554 0.797 . . . . 0.0 109.33 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.623 ' HB2' ' HB1' ' A' ' 52' ' ' ALA . 21.5 p -85.1 150.08 25.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 108.375 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 162.94 179.88 37.76 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.544 1.153 . . . . 0.0 111.005 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.401 ' O ' ' SG ' ' A' ' 36' ' ' CYS . 98.9 m -85.01 -5.17 59.36 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.554 0.796 . . . . 0.0 110.43 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.439 ' O ' ' HB2' ' A' ' 38' ' ' GLN . 91.3 t -74.68 -41.1 47.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 109.272 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -63.15 -14.98 55.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 108.292 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.537 ' SG ' ' N ' ' A' ' 37' ' ' GLY . 0.7 OUTLIER -53.64 -52.75 58.9 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.114 . . . . 0.0 108.319 179.974 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.537 ' N ' ' SG ' ' A' ' 36' ' ' CYS . . . -114.88 41.39 2.18 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.505 1.128 . . . . 0.0 110.986 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.912 ' O ' HG23 ' A' ' 10' ' ' THR . 2.9 tp60 -120.29 -49.58 2.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.459 0.741 . . . . 0.0 110.327 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 68.9 m -112.46 -23.06 10.51 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 0.0 108.314 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.569 ' CZ ' ' HB2' ' A' ' 21' ' ' TRP . 0.8 OUTLIER -135.44 -175.12 3.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 0.0 110.991 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.499 ' O ' ' HB ' ' A' ' 44' ' ' VAL . 0.3 OUTLIER -151.48 157.08 41.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 109.992 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.699 ' CG ' ' HA ' ' A' ' 43' ' ' PRO . 0.2 OUTLIER -54.91 155.1 8.65 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.148 . . . . 0.0 110.97 -179.966 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.699 ' HA ' ' CG ' ' A' ' 42' ' ' PHE . 18.2 Cg_endo -74.96 8.28 10.1 Favored 'Cis proline' 0 C--N 1.361 1.193 0 C-N-CA 121.036 -2.485 . . . . 0.0 111.023 -0.057 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.636 HG21 ' CG ' ' A' ' 5' ' ' PHE . 2.1 t -70.97 -38.43 72.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.12 . . . . 0.0 109.319 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.54 ' HB3' ' N ' ' A' ' 42' ' ' PHE . 0.1 OUTLIER -51.18 -21.15 1.85 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.115 . . . . 0.0 110.001 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.579 ' HB2' ' CE1' ' A' ' 42' ' ' PHE . 1.1 tt0 -80.8 -29.98 35.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 110.301 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' SER . . . . . 0.436 ' N ' ' O ' ' A' ' 44' ' ' VAL . 0.5 OUTLIER -75.81 -36.34 59.76 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.494 1.122 . . . . 0.0 110.011 179.985 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -54.92 -61.0 2.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 108.259 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.88 -12.95 58.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 109.282 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -83.01 -53.84 3.37 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.467 1.104 . . . . 0.0 111.021 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 8.1 tpt -86.28 20.35 2.41 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.521 0.777 . . . . 0.0 111.027 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.623 ' HB1' ' HB2' ' A' ' 31' ' ' CYS . . . -88.99 40.56 0.98 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 109.321 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.501 ' OD2' ' CB ' ' A' ' 56' ' ' ASP . 37.6 t0 52.31 174.84 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.138 . . . . 0.0 109.318 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -101.96 -87.07 0.41 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 110.014 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -114.52 -8.37 12.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 109.317 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.501 ' CB ' ' OD2' ' A' ' 53' ' ' ASP . 0.4 OUTLIER -74.55 -7.32 52.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 109.31 179.967 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -75.04 165.77 51.15 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.501 1.126 . . . . 0.0 108.283 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 56.01 4.11 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.514 1.797 . . . . 0.0 110.999 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 4.4 m120 -82.98 162.12 21.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.302 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 109.344 -179.993 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 1.2 p30 . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -111.29 -35.75 2.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.099 . . . . 0.0 109.287 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -53.75 -29.69 40.91 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.521 1.138 . . . . 0.0 110.307 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -74.61 -13.63 60.67 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.506 1.128 . . . . 0.0 109.324 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.669 ' CG ' HG21 ' A' ' 44' ' ' VAL . 14.7 m-85 -119.93 20.18 12.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 110.968 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.53 ' CG ' ' HB3' ' A' ' 17' ' ' SER . 2.3 t80 -78.36 121.91 25.09 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.499 1.124 . . . . 0.0 110.987 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.414 ' O ' ' HB2' ' A' ' 11' ' ' CYS . 44.6 p -105.88 85.32 2.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 110.461 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.3 t -72.09 -2.68 19.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 109.944 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -75.8 -48.74 20.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.461 1.101 . . . . 0.0 110.317 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.909 HG23 ' O ' ' A' ' 38' ' ' GLN . 0.0 OUTLIER -98.81 -25.19 14.72 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.128 . . . . 0.0 110.395 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.454 ' SG ' ' HD2' ' A' ' 12' ' ' PRO . 20.2 t -63.72 137.43 97.09 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 108.299 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.478 ' HG2' ' CE2' ' A' ' 13' ' ' TYR . 18.2 Cg_endo -75.01 -3.82 14.5 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.478 1.778 . . . . 0.0 110.966 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.612 ' HB3' HD12 ' A' ' 19' ' ' LEU . 66.9 m-85 -127.72 138.73 52.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 110.966 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.83 29.99 4.38 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.514 1.134 . . . . 0.0 109.314 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -95.88 -42.27 8.4 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.45 1.094 . . . . 0.0 109.331 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -165.24 149.26 8.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.444 1.09 . . . . 0.0 109.326 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.53 ' HB3' ' CG ' ' A' ' 6' ' ' TYR . 15.8 p -69.33 -36.91 77.42 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.483 1.114 . . . . 0.0 109.998 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 3.6 mt-30 -71.52 -23.4 61.77 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 110.296 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.776 HD13 ' N ' ' A' ' 20' ' ' ALA . 0.4 OUTLIER -64.0 -60.34 3.37 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.457 1.098 . . . . 0.0 109.295 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.776 ' N ' HD13 ' A' ' 19' ' ' LEU . . . -59.74 -34.53 73.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.551 1.157 . . . . 0.0 109.339 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' TRP . . . . . 0.582 ' HB2' ' CZ ' ' A' ' 40' ' ' PHE . 1.8 t-105 -68.97 -40.46 78.83 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 107.938 -1.134 . . . . 0.0 107.938 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -64.3 -13.42 49.83 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.139 . . . . 0.0 109.277 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.409 HG23 ' OD1' ' A' ' 30' ' ' ASN . 0.7 OUTLIER -87.27 -55.09 3.96 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 110.416 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.455 ' SG ' ' N ' ' A' ' 25' ' ' SER . 0.0 OUTLIER -81.77 -68.8 0.66 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 108.318 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.529 ' HB2' ' CE2' ' A' ' 21' ' ' TRP . 0.0 OUTLIER -80.83 51.16 1.47 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 109.988 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -126.21 3.6 7.8 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.545 1.153 . . . . 0.0 110.961 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 96.97 -34.28 5.16 Favored Glycine 0 CA--C 1.531 1.033 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 71.2 p -125.9 -152.89 0.53 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 0.765 . . . . 0.0 110.366 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 68.97 -124.87 18.09 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.456 1.098 . . . . 0.0 110.969 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ASN . . . . . 0.409 ' OD1' HG23 ' A' ' 23' ' ' THR . 0.7 OUTLIER -119.44 58.44 0.87 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 0.774 . . . . 0.0 109.3 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.413 ' CB ' ' O ' ' A' ' 24' ' ' CYS . 1.5 p -69.26 150.81 47.0 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.502 1.126 . . . . 0.0 108.317 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 152.28 176.33 24.82 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.546 1.154 . . . . 0.0 110.996 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.402 ' O ' ' SG ' ' A' ' 36' ' ' CYS . 89.5 m -72.96 -3.45 26.03 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.494 0.761 . . . . 0.0 110.351 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.433 ' O ' ' HB2' ' A' ' 38' ' ' GLN . 60.7 t -70.09 -53.0 25.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.118 . . . . 0.0 109.29 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -62.04 -16.67 53.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 108.286 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.478 ' SG ' ' N ' ' A' ' 37' ' ' GLY . 0.3 OUTLIER -55.37 -51.27 67.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.558 1.161 . . . . 0.0 108.333 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.478 ' N ' ' SG ' ' A' ' 36' ' ' CYS . . . -116.0 42.55 1.86 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.496 1.122 . . . . 0.0 111.004 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.909 ' O ' HG23 ' A' ' 10' ' ' THR . 10.8 tt0 -120.91 -53.25 2.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 0.751 . . . . 0.0 110.276 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.4 ' HA ' ' HB2' ' A' ' 11' ' ' CYS . 85.3 m -111.25 -18.39 12.96 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.54 1.15 . . . . 0.0 108.273 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.582 ' CZ ' ' HB2' ' A' ' 21' ' ' TRP . 1.5 m-85 -135.87 177.53 7.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.142 . . . . 0.0 110.974 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.527 ' O ' ' HB ' ' A' ' 44' ' ' VAL . 1.0 OUTLIER -148.72 156.33 42.23 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.475 1.11 . . . . 0.0 109.961 -179.952 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.689 ' CG ' ' HA ' ' A' ' 43' ' ' PRO . 0.2 OUTLIER -53.12 154.38 5.53 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.555 1.159 . . . . 0.0 111.009 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.689 ' HA ' ' CG ' ' A' ' 42' ' ' PHE . 18.3 Cg_endo -75.0 9.95 8.97 Favored 'Cis proline' 0 C--N 1.36 1.182 0 C-N-CA 120.983 -2.507 . . . . 0.0 111.021 -0.027 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.669 HG21 ' CG ' ' A' ' 5' ' ' PHE . 2.4 t -70.94 -39.79 75.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.138 . . . . 0.0 109.255 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.49 ' HB3' ' N ' ' A' ' 42' ' ' PHE . 0.1 OUTLIER -51.6 -19.8 1.69 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 0.0 110.035 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.576 ' HB2' ' CE1' ' A' ' 42' ' ' PHE . 0.8 OUTLIER -78.22 -31.51 49.38 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 110.31 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 3.6 m -76.64 -42.65 41.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.452 1.095 . . . . 0.0 109.975 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' CYS . . . . . 0.509 ' O ' ' HB2' ' A' ' 52' ' ' ALA . 1.2 t -54.5 -59.3 4.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 108.313 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.66 -13.49 59.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.319 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -84.66 -53.35 3.24 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.497 1.123 . . . . 0.0 111.006 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 4.0 tpp -85.63 15.41 4.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 0.765 . . . . 0.0 110.998 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.509 ' HB2' ' O ' ' A' ' 48' ' ' CYS . . . -90.68 31.41 1.05 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.452 1.095 . . . . 0.0 109.306 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 58.09 158.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 109.293 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -103.65 -72.42 0.7 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 109.999 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 5.1 t30 -116.52 -7.83 11.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.292 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -74.68 -21.54 59.35 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 109.264 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -76.32 155.73 83.88 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 108.289 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 56.05 4.14 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.539 1.81 . . . . 0.0 111.018 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 17.2 m120 -89.65 162.76 15.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.12 . . . . 0.0 109.249 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.136 . . . . 0.0 109.254 -179.958 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 41.7 m-20 . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -92.75 -35.9 7.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 109.311 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.95 -30.65 47.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 110.296 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -74.24 -4.58 36.91 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.139 . . . . 0.0 109.285 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.479 ' CG ' HG21 ' A' ' 44' ' ' VAL . 14.5 m-85 -127.88 14.09 6.87 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 0.0 111.001 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.55 ' CG ' ' HB3' ' A' ' 17' ' ' SER . 4.7 t80 -78.63 129.4 34.71 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.514 1.134 . . . . 0.0 111.03 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 22.1 p -116.19 91.67 3.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 110.417 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -73.81 -2.24 22.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 109.983 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -76.47 -42.81 42.38 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 110.279 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.867 HG23 ' O ' ' A' ' 38' ' ' GLN . 10.1 t -103.04 -26.44 13.06 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 110.397 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.403 ' SG ' ' HD2' ' A' ' 12' ' ' PRO . 16.1 t -63.81 136.18 96.61 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 108.283 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.403 ' HD2' ' SG ' ' A' ' 11' ' ' CYS . 18.3 Cg_endo -75.0 -21.19 16.11 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.524 1.802 . . . . 0.0 111.041 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.535 ' HB2' ' HB2' ' A' ' 20' ' ' ALA . 85.2 m-85 -103.54 178.53 4.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.141 . . . . 0.0 110.996 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.498 ' O ' HD23 ' A' ' 19' ' ' LEU . 0.7 OUTLIER -155.39 -155.26 0.55 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 109.265 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ASN . . . . . 0.452 ' N ' ' HD2' ' A' ' 14' ' ' LYS . 1.4 t30 77.03 -63.14 0.38 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.547 1.154 . . . . 0.0 109.299 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -149.31 163.2 38.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 109.335 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.55 ' HB3' ' CG ' ' A' ' 6' ' ' TYR . 77.4 p -81.12 -29.2 34.87 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.111 . . . . 0.0 109.97 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 28.1 tt0 -66.01 -16.92 64.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.415 1.072 . . . . 0.0 110.333 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.498 HD23 ' O ' ' A' ' 14' ' ' LYS . 26.2 tp -72.32 -64.68 0.9 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.434 1.083 . . . . 0.0 109.322 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.535 ' HB2' ' HB2' ' A' ' 13' ' ' TYR . . . -59.23 -27.26 65.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.539 1.15 . . . . 0.0 109.31 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' TRP . . . . . 0.587 ' CZ2' ' CB ' ' A' ' 51' ' ' MET . 10.2 t-105 -71.21 -40.54 71.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.13 . . . . 0.0 107.989 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -68.76 -17.04 63.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 109.297 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -75.05 -55.73 5.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 110.416 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.426 ' CB ' ' HA ' ' A' ' 31' ' ' CYS . 0.0 OUTLIER -91.09 -66.99 0.88 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 108.322 179.958 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.533 ' HB2' ' CE2' ' A' ' 21' ' ' TRP . 0.1 OUTLIER -76.98 53.43 0.94 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.127 . . . . 0.0 110.032 179.975 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -131.51 9.19 5.57 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.514 1.134 . . . . 0.0 110.975 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.406 ' O ' ' SG ' ' A' ' 57' ' ' CYS . . . 97.52 -37.93 3.28 Favored Glycine 0 CA--C 1.53 0.991 0 N-CA-C 111.006 -0.837 . . . . 0.0 111.006 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 52.5 p -132.18 -163.3 1.32 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 0.773 . . . . 0.0 110.371 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 85.88 -136.32 14.16 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.509 1.13 . . . . 0.0 110.963 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 30.8 p30 -102.06 37.23 1.9 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 0.785 . . . . 0.0 109.315 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.426 ' HA ' ' CB ' ' A' ' 24' ' ' CYS . 0.6 OUTLIER -55.63 146.87 19.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.148 . . . . 0.0 108.268 -179.951 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 164.49 -176.41 40.38 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.457 1.098 . . . . 0.0 110.993 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.427 ' HA ' ' SG ' ' A' ' 36' ' ' CYS . 92.4 m -84.93 -6.25 59.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 0.765 . . . . 0.0 110.377 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.549 ' CG1' ' NE2' ' A' ' 38' ' ' GLN . 25.2 t -83.68 -33.34 9.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.507 1.13 . . . . 0.0 109.304 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -62.39 -19.94 63.93 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.542 1.151 . . . . 0.0 108.311 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.71 ' SG ' ' HB2' ' A' ' 49' ' ' ALA . 59.2 m -54.23 -76.83 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.558 1.161 . . . . 0.0 108.327 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -85.24 45.99 3.6 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.481 1.113 . . . . 0.0 111.061 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.867 ' O ' HG23 ' A' ' 10' ' ' THR . 0.4 OUTLIER -120.31 -35.73 3.37 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.52 0.777 . . . . 0.0 110.25 -179.945 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 70.8 m -130.01 -43.95 1.19 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.103 . . . . 0.0 108.271 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.526 ' CZ ' ' HB2' ' A' ' 21' ' ' TRP . 0.4 OUTLIER -110.06 175.9 5.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.15 . . . . 0.0 111.005 -179.961 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.519 ' C ' ' H ' ' A' ' 45' ' ' SER . 0.7 OUTLIER -139.35 159.3 42.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 110.025 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.739 ' CD2' ' HA ' ' A' ' 43' ' ' PRO . 0.2 OUTLIER -54.13 154.22 8.19 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.138 . . . . 0.0 111.013 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.739 ' HA ' ' CD2' ' A' ' 42' ' ' PHE . 18.2 Cg_endo -75.03 6.37 11.81 Favored 'Cis proline' 0 C--N 1.361 1.187 0 C-N-CA 120.924 -2.532 . . . . 0.0 111.023 -0.029 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.479 HG21 ' CG ' ' A' ' 5' ' ' PHE . 2.2 t -70.12 -37.9 73.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.553 1.158 . . . . 0.0 109.286 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.519 ' H ' ' C ' ' A' ' 41' ' ' SER . 0.9 OUTLIER -52.61 -19.0 2.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 109.974 -179.959 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.601 ' HB2' ' CE1' ' A' ' 42' ' ' PHE . 0.5 OUTLIER -87.21 -24.05 24.56 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 0.0 110.287 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 47' ' ' SER . . . . . 0.452 ' N ' ' O ' ' A' ' 44' ' ' VAL . 8.7 m -75.52 -38.02 59.7 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.104 . . . . 0.0 110.036 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' CYS . . . . . 0.435 ' SG ' ' N ' ' A' ' 36' ' ' CYS . 0.1 OUTLIER -53.6 -63.54 1.12 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.45 1.094 . . . . 0.0 108.288 179.973 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.71 ' HB2' ' SG ' ' A' ' 36' ' ' CYS . . . -60.53 -15.15 24.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.562 1.163 . . . . 0.0 109.28 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -82.51 -53.48 3.59 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.498 1.124 . . . . 0.0 110.957 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' MET . . . . . 0.587 ' CB ' ' CZ2' ' A' ' 21' ' ' TRP . 1.7 tpt -85.3 13.19 6.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 0.762 . . . . 0.0 110.989 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.415 ' O ' ' O ' ' A' ' 53' ' ' ASP . . . -90.77 35.05 0.89 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 109.243 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.415 ' O ' ' O ' ' A' ' 52' ' ' ALA . 1.3 m-20 57.17 161.8 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 109.319 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -96.98 -78.2 0.48 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.513 1.133 . . . . 0.0 109.964 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -115.43 -7.3 12.29 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.515 1.134 . . . . 0.0 109.264 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -74.33 -16.34 60.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.427 1.079 . . . . 0.0 109.324 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' CYS . . . . . 0.406 ' SG ' ' O ' ' A' ' 27' ' ' GLY . 0.0 OUTLIER -83.18 153.17 66.1 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 108.276 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.01 55.84 4.07 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.508 1.793 . . . . 0.0 111.029 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 52.4 m-20 -95.39 163.48 13.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.311 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.486 1.116 . . . . 0.0 109.346 -179.952 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' ASP . . . . . 0.44 ' OD1' ' N ' ' A' ' 3' ' ' GLU . 59.0 t0 . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 1.5 pt -80.88 -41.53 19.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.433 1.083 . . . . 0.0 109.296 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.44 ' N ' ' OD1' ' A' ' 1' ' ' ASP . 0.0 OUTLIER -53.99 -27.03 28.99 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.141 . . . . 0.0 110.29 179.971 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -74.38 -10.11 59.26 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.47 1.107 . . . . 0.0 109.27 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.492 ' CG ' HG21 ' A' ' 44' ' ' VAL . 20.7 m-85 -122.14 14.82 10.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 110.996 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.565 ' CG ' ' HB2' ' A' ' 17' ' ' SER . 3.8 t80 -77.74 122.24 25.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 111.05 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 8.6 p -107.87 91.24 3.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 110.403 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -72.78 -3.09 23.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 110.0 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -76.34 -47.73 22.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 110.303 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.888 HG23 ' O ' ' A' ' 38' ' ' GLN . 0.5 OUTLIER -96.8 -25.41 15.5 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.519 1.137 . . . . 0.0 110.422 179.967 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.435 ' SG ' ' HD2' ' A' ' 12' ' ' PRO . 22.3 t -64.24 136.99 96.98 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 108.287 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.435 ' HD2' ' SG ' ' A' ' 11' ' ' CYS . 18.2 Cg_endo -75.05 -23.97 13.2 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.491 1.785 . . . . 0.0 110.994 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 64.5 m-85 -109.72 177.1 4.83 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.518 1.136 . . . . 0.0 111.009 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.435 ' HG2' ' N ' ' A' ' 15' ' ' ASN . 0.0 OUTLIER -152.05 -142.95 0.13 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.567 1.167 . . . . 0.0 109.303 -179.998 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ASN . . . . . 0.435 ' N ' ' HG2' ' A' ' 14' ' ' LYS . 1.0 OUTLIER 73.18 -63.88 0.42 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.493 1.121 . . . . 0.0 109.303 179.965 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -149.26 156.34 41.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 109.277 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.565 ' HB2' ' CG ' ' A' ' 6' ' ' TYR . 11.4 t -75.61 -30.77 59.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.435 1.085 . . . . 0.0 109.949 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -64.64 -16.92 63.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 110.334 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 36.7 tp -73.14 -65.9 0.75 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.471 1.107 . . . . 0.0 109.3 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -59.25 -24.62 63.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.453 1.096 . . . . 0.0 109.264 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' TRP . . . . . 0.509 ' CD2' ' OG ' ' A' ' 25' ' ' SER . 7.9 t-105 -75.29 -50.03 17.33 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.504 1.127 . . . . 0.0 108.022 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.429 ' OD1' ' O ' ' A' ' 22' ' ' ASP . 46.8 t0 -63.63 -12.91 37.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 109.29 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -78.15 -54.87 5.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 110.417 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -85.36 -58.3 2.73 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.484 1.115 . . . . 0.0 108.336 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.509 ' OG ' ' CD2' ' A' ' 21' ' ' TRP . 76.8 p -76.24 51.89 0.72 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.996 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -130.19 2.7 5.88 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.555 1.16 . . . . 0.0 110.985 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 94.62 -31.17 7.04 Favored Glycine 0 CA--C 1.53 0.997 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 53.1 p -130.83 -167.49 1.84 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 0.753 . . . . 0.0 110.413 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 86.19 -128.95 9.11 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.496 1.122 . . . . 0.0 110.996 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 2.1 p30 -107.25 30.73 5.95 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.521 0.777 . . . . 0.0 109.269 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -54.81 150.49 9.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.548 1.155 . . . . 0.0 108.284 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 156.13 -170.51 33.83 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.502 1.126 . . . . 0.0 111.023 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.441 ' HA ' ' SG ' ' A' ' 36' ' ' CYS . 91.4 m -85.38 -6.3 59.24 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 0.788 . . . . 0.0 110.373 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.496 ' O ' ' HB2' ' A' ' 38' ' ' GLN . 81.6 t -82.04 -34.05 12.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.545 1.153 . . . . 0.0 109.27 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -63.48 -21.36 66.27 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.454 1.096 . . . . 0.0 108.337 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.828 ' SG ' ' HB2' ' A' ' 49' ' ' ALA . 64.4 m -54.51 -78.46 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.476 1.11 . . . . 0.0 108.27 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -85.77 49.62 4.18 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.518 1.136 . . . . 0.0 110.986 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.888 ' O ' HG23 ' A' ' 10' ' ' THR . 0.8 OUTLIER -120.02 -59.74 1.76 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 0.741 . . . . 0.0 110.262 179.979 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 62.7 m -112.54 -13.99 13.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 108.32 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.401 ' HA ' ' O ' ' A' ' 5' ' ' PHE . 0.8 OUTLIER -134.75 174.48 10.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.125 . . . . 0.0 111.026 179.975 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.498 ' O ' ' HB ' ' A' ' 44' ' ' VAL . 3.1 m -142.53 158.03 44.11 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.552 1.158 . . . . 0.0 110.019 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.748 ' CD2' ' HA ' ' A' ' 43' ' ' PRO . 0.2 OUTLIER -54.52 154.6 8.56 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.147 . . . . 0.0 111.048 179.956 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.748 ' HA ' ' CD2' ' A' ' 42' ' ' PHE . 18.1 Cg_endo -75.05 6.88 11.47 Favored 'Cis proline' 0 C--N 1.359 1.127 0 C-N-CA 121.007 -2.497 . . . . 0.0 110.953 0.055 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.498 ' HB ' ' O ' ' A' ' 41' ' ' SER . 2.2 t -69.95 -37.88 73.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.434 1.084 . . . . 0.0 109.272 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.542 ' HB3' ' N ' ' A' ' 42' ' ' PHE . 0.2 OUTLIER -51.89 -18.07 1.19 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.11 . . . . 0.0 110.001 -179.984 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.604 ' HB2' ' CE1' ' A' ' 42' ' ' PHE . 49.2 tp60 -87.28 -29.41 21.66 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.464 1.102 . . . . 0.0 110.293 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' SER . . . . . 0.425 ' N ' ' O ' ' A' ' 44' ' ' VAL . 4.2 t -70.81 -39.0 73.33 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.476 1.11 . . . . 0.0 109.976 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' CYS . . . . . 0.418 ' SG ' ' N ' ' A' ' 36' ' ' CYS . 0.1 OUTLIER -53.62 -69.42 0.12 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 108.286 179.979 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.828 ' HB2' ' SG ' ' A' ' 36' ' ' CYS . . . -58.06 -17.64 19.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 109.284 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -76.69 -63.27 2.36 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.449 1.093 . . . . 0.0 110.995 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' MET . . . . . 0.467 ' O ' ' HG3' ' A' ' 51' ' ' MET . 29.0 tpp -74.52 -2.57 26.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 0.763 . . . . 0.0 110.938 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.416 ' HB2' ' O ' ' A' ' 48' ' ' CYS . . . -81.8 50.25 1.49 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.47 1.106 . . . . 0.0 109.29 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 52.19 176.06 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 109.328 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -112.32 -73.67 0.66 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.434 1.084 . . . . 0.0 110.0 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 4.8 t-20 -117.28 -7.4 11.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 109.296 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -74.46 -32.24 62.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 0.0 109.32 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -62.29 156.82 58.48 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 108.305 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 57.08 4.46 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.434 1.755 . . . . 0.0 110.956 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 9.9 m-20 -81.69 171.43 14.6 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.492 1.12 . . . . 0.0 109.295 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 0.0 109.3 -179.984 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -84.61 -34.97 9.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.5 1.125 . . . . 0.0 109.304 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -55.15 -29.41 57.7 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 110.311 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -74.58 -3.52 31.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 109.333 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 11.6 m-85 -128.99 19.3 6.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 111.055 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.508 ' CG ' ' HB3' ' A' ' 17' ' ' SER . 3.0 t80 -78.31 116.32 18.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.099 . . . . 0.0 111.033 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.404 ' O ' ' HB2' ' A' ' 11' ' ' CYS . 7.7 p -102.83 90.04 3.66 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 110.399 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 23.1 t -75.18 0.13 17.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.458 1.099 . . . . 0.0 110.017 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -77.86 -43.23 30.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 110.294 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.978 HG23 ' O ' ' A' ' 38' ' ' GLN . 0.1 OUTLIER -105.52 -23.46 12.79 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 110.402 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.478 ' SG ' ' HD2' ' A' ' 12' ' ' PRO . 31.0 t -64.24 138.21 97.35 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 108.308 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.558 ' HG2' ' CE2' ' A' ' 13' ' ' TYR . 18.3 Cg_endo -75.07 -14.87 20.86 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.5 1.789 . . . . 0.0 111.009 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.558 ' CE2' ' HG2' ' A' ' 12' ' ' PRO . 26.3 m-85 -112.46 145.82 39.52 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.474 1.109 . . . . 0.0 110.995 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.444 ' HD3' ' N ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -135.78 31.16 3.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 109.279 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -100.43 -45.63 5.5 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.128 . . . . 0.0 109.306 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -165.48 154.49 12.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 109.306 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.508 ' HB3' ' CG ' ' A' ' 6' ' ' TYR . 78.4 p -73.41 -34.52 65.54 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 110.016 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -72.5 -26.07 61.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 110.273 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.902 HD13 ' N ' ' A' ' 20' ' ' ALA . 0.3 OUTLIER -63.89 -59.91 3.93 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 109.311 -179.965 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.902 ' N ' HD13 ' A' ' 19' ' ' LEU . . . -59.74 -33.23 71.39 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 0.0 109.343 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' TRP . . . . . 0.537 ' CE2' ' HB2' ' A' ' 25' ' ' SER . 4.6 t-105 -67.47 -38.18 84.01 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -65.25 -12.85 55.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 0.0 109.242 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.581 HG22 ' N ' ' A' ' 24' ' ' CYS . 0.8 OUTLIER -90.13 -69.65 0.71 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 110.376 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.581 ' N ' HG22 ' A' ' 23' ' ' THR . 0.0 OUTLIER -67.0 -65.01 0.73 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 108.324 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.537 ' HB2' ' CE2' ' A' ' 21' ' ' TRP . 0.0 OUTLIER -78.24 53.31 1.22 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 110.007 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -131.45 -135.14 3.7 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.466 1.104 . . . . 0.0 111.021 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -105.18 -38.58 2.44 Favored Glycine 0 CA--C 1.53 0.977 0 N-CA-C 111.04 -0.824 . . . . 0.0 111.04 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 74.8 p -137.1 -161.31 1.15 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 0.744 . . . . 0.0 110.419 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 93.51 -118.74 5.76 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.478 1.111 . . . . 0.0 110.997 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 1.1 p-10 -131.7 68.48 1.49 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.552 0.796 . . . . 0.0 109.262 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.497 ' CB ' ' O ' ' A' ' 24' ' ' CYS . 11.6 p -84.61 138.28 32.8 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.539 1.149 . . . . 0.0 108.309 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 174.54 -178.32 46.38 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.522 1.139 . . . . 0.0 110.977 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.407 ' O ' ' SG ' ' A' ' 36' ' ' CYS . 96.4 m -83.04 -4.87 58.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 0.748 . . . . 0.0 110.44 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.404 ' O ' ' HB2' ' A' ' 38' ' ' GLN . 71.9 t -74.97 -41.35 45.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.522 1.139 . . . . 0.0 109.299 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -63.79 -13.53 45.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 108.329 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.537 ' SG ' ' N ' ' A' ' 37' ' ' GLY . 0.7 OUTLIER -54.64 -52.58 61.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.117 . . . . 0.0 108.274 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.537 ' N ' ' SG ' ' A' ' 36' ' ' CYS . . . -113.84 39.14 2.92 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.491 1.12 . . . . 0.0 110.96 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.978 ' O ' HG23 ' A' ' 10' ' ' THR . 18.4 tp60 -120.68 -45.99 2.38 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.53 0.783 . . . . 0.0 110.282 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.61 ' HB3' ' CE1' ' A' ' 40' ' ' PHE . 0.5 OUTLIER -111.99 -26.73 8.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 108.294 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.61 ' CE1' ' HB3' ' A' ' 39' ' ' CYS . 0.6 OUTLIER -135.55 -172.83 3.18 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.534 1.146 . . . . 0.0 111.013 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.51 ' O ' ' HB ' ' A' ' 44' ' ' VAL . 0.0 OUTLIER -150.93 157.06 42.43 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 110.016 -179.957 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.711 ' CG ' ' HA ' ' A' ' 43' ' ' PRO . 0.2 OUTLIER -55.65 155.49 10.7 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 111.001 -179.991 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.711 ' HA ' ' CG ' ' A' ' 42' ' ' PHE . 18.3 Cg_endo -74.99 8.44 10.03 Favored 'Cis proline' 0 C--N 1.36 1.134 0 C-N-CA 120.997 -2.501 . . . . 0.0 111.055 -0.022 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.51 ' HB ' ' O ' ' A' ' 41' ' ' SER . 2.1 t -71.15 -38.73 72.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 109.27 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.542 ' HB3' ' N ' ' A' ' 42' ' ' PHE . 0.1 OUTLIER -51.09 -21.81 2.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.447 1.092 . . . . 0.0 109.988 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.571 ' HB2' ' CE1' ' A' ' 42' ' ' PHE . 2.1 tt0 -77.65 -31.58 52.75 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.545 1.153 . . . . 0.0 110.279 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' SER . . . . . 0.417 ' N ' ' O ' ' A' ' 44' ' ' VAL . 1.4 m -76.83 -37.58 55.4 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 0.0 109.975 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' CYS . . . . . 0.43 ' O ' ' HB2' ' A' ' 52' ' ' ALA . 0.1 OUTLIER -53.94 -50.22 66.95 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.543 1.152 . . . . 0.0 108.273 -179.976 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -72.31 -23.03 61.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.546 1.154 . . . . 0.0 109.297 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -74.51 -52.5 7.35 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.51 1.131 . . . . 0.0 111.034 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' MET . . . . . 0.455 ' CB ' ' CZ2' ' A' ' 21' ' ' TRP . 9.1 tpt -86.55 22.6 1.84 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 0.782 . . . . 0.0 111.042 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.43 ' HB2' ' O ' ' A' ' 48' ' ' CYS . . . -86.45 43.01 1.04 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.492 1.12 . . . . 0.0 109.278 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.418 ' OD1' ' N ' ' A' ' 54' ' ' SER . 33.2 t0 54.15 170.44 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.276 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.418 ' N ' ' OD1' ' A' ' 53' ' ' ASP . 0.4 OUTLIER -101.09 -88.71 0.36 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.483 1.114 . . . . 0.0 110.045 179.942 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -116.56 -8.49 11.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.456 1.098 . . . . 0.0 109.267 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 40.5 m-20 -74.84 -3.63 33.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 109.319 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -83.06 155.55 67.3 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 108.327 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 56.14 4.14 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.49 1.784 . . . . 0.0 111.039 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 5.5 m120 -103.57 169.01 8.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.276 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.449 0 O-C-N 124.482 1.114 . . . . 0.0 109.322 179.998 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -87.47 -34.7 7.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 109.31 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -54.19 -29.24 45.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 110.317 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -74.44 -9.54 58.69 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.545 1.153 . . . . 0.0 109.331 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 20.5 m-85 -124.74 20.84 8.46 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.433 1.083 . . . . 0.0 111.011 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.455 ' CG ' ' HB3' ' A' ' 17' ' ' SER . 3.3 t80 -78.72 118.89 21.22 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.496 1.123 . . . . 0.0 110.966 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.423 ' O ' ' HB2' ' A' ' 11' ' ' CYS . 69.9 p -104.2 87.44 2.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 110.431 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 14.3 t -72.23 -2.1 17.64 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.51 1.131 . . . . 0.0 109.999 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -77.66 -49.47 14.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.458 1.099 . . . . 0.0 110.314 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.97 HG23 ' O ' ' A' ' 38' ' ' GLN . 0.6 OUTLIER -97.82 -23.96 15.64 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.123 . . . . 0.0 110.402 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.45 ' SG ' ' HD2' ' A' ' 12' ' ' PRO . 36.8 t -63.82 137.65 97.16 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.117 . . . . 0.0 108.305 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.45 ' HD2' ' SG ' ' A' ' 11' ' ' CYS . 18.4 Cg_endo -74.99 -8.85 20.45 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.494 1.786 . . . . 0.0 111.025 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.407 ' CD2' ' HB2' ' A' ' 20' ' ' ALA . 90.7 m-85 -113.46 149.4 34.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.56 1.162 . . . . 0.0 110.989 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.459 ' HD3' ' N ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -137.22 32.22 2.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 109.309 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ASN . . . . . 0.566 ' HB3' HD22 ' A' ' 19' ' ' LEU . 19.3 t-20 -102.76 -53.04 2.94 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 109.322 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -165.63 164.03 19.18 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.489 1.118 . . . . 0.0 109.289 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.455 ' HB3' ' CG ' ' A' ' 6' ' ' TYR . 58.7 p -77.83 -27.47 49.97 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.464 1.102 . . . . 0.0 110.007 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.436 ' O ' ' N ' ' A' ' 22' ' ' ASP . 52.7 mt-30 -73.59 -29.86 62.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.446 1.091 . . . . 0.0 110.298 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.566 HD22 ' HB3' ' A' ' 15' ' ' ASN . 7.3 tp -64.35 -65.53 0.66 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 0.0 109.341 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.557 ' CB ' ' SG ' ' A' ' 39' ' ' CYS . . . -55.63 -35.08 65.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 109.33 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' TRP . . . . . 0.599 ' CE3' ' OG ' ' A' ' 25' ' ' SER . 12.0 t-105 -69.8 -37.87 76.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.135 . . . . 0.0 108.013 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.436 ' N ' ' O ' ' A' ' 18' ' ' GLN . 7.7 t70 -70.14 -11.92 61.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.438 1.087 . . . . 0.0 109.297 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.409 ' HB ' ' O ' ' A' ' 20' ' ' ALA . 1.0 OUTLIER -88.18 -68.63 0.75 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 110.38 -179.987 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -73.17 -58.89 2.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 108.253 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.599 ' OG ' ' CE3' ' A' ' 21' ' ' TRP . 0.0 OUTLIER -77.46 52.99 1.01 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.509 1.131 . . . . 0.0 110.027 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -133.81 -125.85 2.62 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.475 1.11 . . . . 0.0 110.942 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.412 ' O ' ' SG ' ' A' ' 57' ' ' CYS . . . -105.97 -55.43 0.69 Allowed Glycine 0 CA--C 1.53 1.01 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 59.7 p -130.62 -152.83 0.53 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 0.766 . . . . 0.0 110.351 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 93.42 -110.77 4.01 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.518 1.136 . . . . 0.0 110.99 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -128.08 48.33 2.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 0.766 . . . . 0.0 109.279 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.406 ' SG ' ' O ' ' A' ' 52' ' ' ALA . 5.0 p -69.07 124.92 25.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 0.0 108.256 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -170.35 176.75 43.88 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.46 1.1 . . . . 0.0 111.033 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.467 ' HA ' ' SG ' ' A' ' 36' ' ' CYS . 81.2 m -85.63 -3.07 58.78 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 0.748 . . . . 0.0 110.4 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.485 ' O ' ' HB2' ' A' ' 38' ' ' GLN . 81.3 t -81.17 -35.77 14.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 109.276 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -63.36 -12.62 31.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 108.305 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.676 ' SG ' ' HB2' ' A' ' 49' ' ' ALA . 79.2 m -54.17 -79.82 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 108.295 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -86.8 42.5 3.16 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.556 1.16 . . . . 0.0 111.034 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.97 ' O ' HG23 ' A' ' 10' ' ' THR . 5.9 tp60 -123.2 -46.05 2.08 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 0.745 . . . . 0.0 110.314 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.621 ' HB3' ' CE1' ' A' ' 40' ' ' PHE . 0.5 OUTLIER -110.69 -27.13 9.05 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.491 1.119 . . . . 0.0 108.314 180.0 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.621 ' CE1' ' HB3' ' A' ' 39' ' ' CYS . 0.6 OUTLIER -135.15 -177.89 4.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 110.987 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.499 ' O ' ' HB ' ' A' ' 44' ' ' VAL . 3.1 m -141.28 156.58 45.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 109.981 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.708 ' CD2' ' HA ' ' A' ' 43' ' ' PRO . 0.2 OUTLIER -54.67 154.57 8.95 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 110.98 179.998 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.708 ' HA ' ' CD2' ' A' ' 42' ' ' PHE . 18.3 Cg_endo -74.99 8.15 10.25 Favored 'Cis proline' 0 C--N 1.36 1.151 0 C-N-CA 121.05 -2.479 . . . . 0.0 110.988 0.009 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.5 ' N ' ' HA ' ' A' ' 42' ' ' PHE . 2.1 t -71.29 -37.9 67.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.31 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.551 ' HB3' ' N ' ' A' ' 42' ' ' PHE . 0.2 OUTLIER -52.87 -18.34 1.87 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.553 1.158 . . . . 0.0 109.977 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.586 ' HB2' ' CE1' ' A' ' 42' ' ' PHE . 1.6 tt0 -88.15 -23.68 23.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 110.292 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -76.02 -38.5 57.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 110.008 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' CYS . . . . . 0.518 ' O ' ' HB2' ' A' ' 52' ' ' ALA . 1.6 t -53.14 -65.39 0.57 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 108.32 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.676 ' HB2' ' SG ' ' A' ' 36' ' ' CYS . . . -56.77 -18.47 12.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.253 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -81.49 -57.67 2.71 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.481 1.113 . . . . 0.0 111.041 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' MET . . . . . 0.43 ' O ' ' HA ' ' A' ' 25' ' ' SER . 0.4 OUTLIER -86.14 19.91 2.5 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.493 0.761 . . . . 0.0 111.03 179.94 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.518 ' HB2' ' O ' ' A' ' 48' ' ' CYS . . . -86.25 15.81 4.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.549 1.156 . . . . 0.0 109.294 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.489 ' OD2' ' CB ' ' A' ' 56' ' ' ASP . 0.3 OUTLIER 60.65 139.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 109.335 -179.975 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -109.1 -83.23 0.56 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.104 . . . . 0.0 110.013 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -84.26 -7.26 59.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 109.302 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.489 ' CB ' ' OD2' ' A' ' 53' ' ' ASP . 29.0 m-20 -93.25 -14.19 27.33 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.517 1.136 . . . . 0.0 109.244 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' CYS . . . . . 0.452 ' CB ' ' HB3' ' A' ' 53' ' ' ASP . 0.0 OUTLIER -83.77 163.57 48.44 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 0.0 108.266 -179.966 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 55.85 4.1 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.505 1.792 . . . . 0.0 110.968 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 5.8 m-20 -101.46 170.82 7.96 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.307 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.538 1.149 . . . . 0.0 109.29 -179.98 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.295 -0.632 . . . . 0.0 109.295 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.425 HG13 ' OG ' ' A' ' 17' ' ' SER . 0.6 OUTLIER -78.66 -43.8 25.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.117 . . . . 0.0 109.26 -179.93 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -53.18 -24.74 11.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 110.278 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -75.56 -1.52 24.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.336 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.404 ' O ' ' HA ' ' A' ' 40' ' ' PHE . 22.4 m-85 -135.36 21.19 3.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 110.988 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.542 ' CG ' ' HB2' ' A' ' 17' ' ' SER . 2.5 t80 -78.21 117.6 19.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 111.017 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.403 ' O ' ' HB2' ' A' ' 11' ' ' CYS . 9.5 p -104.08 90.4 3.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.147 . . . . 0.0 110.454 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 7.0 t -75.0 -0.31 18.39 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 110.015 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -77.65 -48.91 15.66 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.446 1.091 . . . . 0.0 110.296 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.864 HG23 ' O ' ' A' ' 38' ' ' GLN . 0.4 OUTLIER -98.93 -24.44 14.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.139 . . . . 0.0 110.416 179.964 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.453 ' SG ' ' HD2' ' A' ' 12' ' ' PRO . 38.2 t -64.4 137.58 97.17 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 0.0 108.308 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.453 ' HD2' ' SG ' ' A' ' 11' ' ' CYS . 18.4 Cg_endo -74.9 -3.29 13.69 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.459 1.768 . . . . 0.0 111.043 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.406 ' CD2' ' HB2' ' A' ' 20' ' ' ALA . 94.9 m-85 -117.55 152.39 35.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.559 1.162 . . . . 0.0 111.037 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.431 ' HD3' ' N ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -145.14 31.4 1.12 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 109.332 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -107.3 -47.72 3.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.249 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -165.31 150.37 9.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 109.318 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.542 ' HB2' ' CG ' ' A' ' 6' ' ' TYR . 12.3 t -68.45 -35.34 77.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.992 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.417 ' O ' ' N ' ' A' ' 22' ' ' ASP . 3.1 tt0 -64.88 -35.55 81.49 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 110.257 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 18.6 tp -57.46 -63.14 1.33 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 109.308 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.547 ' CB ' ' SG ' ' A' ' 39' ' ' CYS . . . -56.25 -37.49 69.85 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.547 1.154 . . . . 0.0 109.283 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' TRP . . . . . 0.543 ' CE2' ' HB2' ' A' ' 25' ' ' SER . 6.8 t-105 -64.65 -38.99 92.87 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 107.962 -1.125 . . . . 0.0 107.962 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.417 ' N ' ' O ' ' A' ' 18' ' ' GLN . 1.4 t0 -68.29 -12.52 61.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 109.311 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.409 ' O ' ' O ' ' A' ' 28' ' ' THR . 0.7 OUTLIER -88.81 -50.27 6.32 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.117 . . . . 0.0 110.412 179.971 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.486 ' O ' ' CB ' ' A' ' 31' ' ' CYS . 0.0 OUTLIER -86.7 -72.51 0.5 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 108.341 179.963 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.543 ' HB2' ' CE2' ' A' ' 21' ' ' TRP . 0.0 OUTLIER -80.09 51.53 1.39 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 0.0 110.01 179.975 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -125.6 6.17 7.99 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.503 1.127 . . . . 0.0 111.005 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.406 ' O ' ' SG ' ' A' ' 57' ' ' CYS . . . 98.05 -31.73 7.64 Favored Glycine 0 CA--C 1.531 1.047 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.409 ' O ' ' O ' ' A' ' 23' ' ' THR . 69.4 p -132.16 -149.18 0.37 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.537 0.786 . . . . 0.0 110.412 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 70.3 -138.63 29.49 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.481 1.113 . . . . 0.0 111.006 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 18.8 p30 -102.84 41.3 1.26 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 0.776 . . . . 0.0 109.312 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.486 ' CB ' ' O ' ' A' ' 24' ' ' CYS . 1.0 OUTLIER -57.99 145.64 35.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.141 . . . . 0.0 108.317 179.975 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 170.24 -178.34 43.05 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.543 1.152 . . . . 0.0 110.958 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.504 ' HA ' ' SG ' ' A' ' 36' ' ' CYS . 88.9 m -85.44 -5.16 59.32 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.496 0.762 . . . . 0.0 110.441 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.472 ' O ' ' HB2' ' A' ' 38' ' ' GLN . 97.8 t -81.89 -38.31 15.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.54 1.15 . . . . 0.0 109.271 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -62.02 -14.98 40.91 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.478 1.111 . . . . 0.0 108.324 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.804 ' SG ' ' HB2' ' A' ' 49' ' ' ALA . 72.7 m -55.04 -57.52 11.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.117 . . . . 0.0 108.312 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -109.23 42.5 1.94 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.528 1.143 . . . . 0.0 110.983 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.864 ' O ' HG23 ' A' ' 10' ' ' THR . 2.7 tt0 -122.19 -48.54 2.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 0.776 . . . . 0.0 110.264 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.565 ' HB3' ' CE1' ' A' ' 40' ' ' PHE . 0.5 OUTLIER -109.85 -24.4 10.87 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.551 1.157 . . . . 0.0 108.286 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.565 ' CE1' ' HB3' ' A' ' 39' ' ' CYS . 1.0 OUTLIER -135.73 -178.66 5.23 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.511 1.132 . . . . 0.0 111.034 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.502 ' O ' ' HB ' ' A' ' 44' ' ' VAL . 1.0 OUTLIER -144.74 157.4 44.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 110.005 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.721 ' CD2' ' HA ' ' A' ' 43' ' ' PRO . 0.2 OUTLIER -54.4 153.83 9.45 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.532 1.145 . . . . 0.0 111.021 -179.992 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.721 ' HA ' ' CD2' ' A' ' 42' ' ' PHE . 18.3 Cg_endo -75.0 7.4 10.88 Favored 'Cis proline' 0 C--N 1.36 1.142 0 C-N-CA 121.069 -2.471 . . . . 0.0 110.971 0.046 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.502 ' HB ' ' O ' ' A' ' 41' ' ' SER . 2.1 t -70.78 -36.89 66.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.311 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.558 ' HB3' ' N ' ' A' ' 42' ' ' PHE . 0.1 OUTLIER -51.75 -18.53 1.27 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.129 . . . . 0.0 110.019 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.594 ' HB2' ' CE1' ' A' ' 42' ' ' PHE . 11.1 tp60 -87.66 -28.1 22.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 110.325 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' SER . . . . . 0.44 ' N ' ' O ' ' A' ' 44' ' ' VAL . 12.9 m -71.57 -39.33 70.67 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.516 1.135 . . . . 0.0 110.044 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 1.1 t -53.09 -70.01 0.1 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.145 . . . . 0.0 108.32 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.804 ' HB2' ' SG ' ' A' ' 36' ' ' CYS . . . -55.24 -20.2 10.3 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 109.278 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -75.53 -56.46 4.61 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.481 1.113 . . . . 0.0 111.044 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' MET . . . . . 0.465 ' HB3' ' CZ2' ' A' ' 21' ' ' TRP . 1.3 tpp -85.22 15.05 4.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.456 0.739 . . . . 0.0 111.016 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -91.24 31.36 1.13 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 109.305 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 59.9 163.34 0.05 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.462 1.101 . . . . 0.0 109.292 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -98.42 -77.14 0.52 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 110.0 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -114.42 -6.77 12.89 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.485 1.116 . . . . 0.0 109.326 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -74.11 -26.83 60.57 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.501 1.126 . . . . 0.0 109.3 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' CYS . . . . . 0.406 ' SG ' ' O ' ' A' ' 27' ' ' GLY . 0.0 OUTLIER -74.88 162.85 71.8 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 108.31 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 56.12 4.13 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.509 1.794 . . . . 0.0 110.978 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 37.9 m-20 -99.31 151.6 20.87 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 109.283 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.104 . . . . 0.0 109.349 -180.0 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -54.45 -32.09 56.9 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 110.282 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -74.21 -12.07 60.47 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.45 1.094 . . . . 0.0 109.269 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . 0.745 ' CG ' HG21 ' A' ' 44' ' ' VAL . 16.7 m-85 -121.12 15.69 11.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.133 . . . . 0.0 111.003 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . 0.536 ' CG ' ' HB3' ' A' ' 17' ' ' SER . 5.9 t80 -77.93 136.6 38.04 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.128 . . . . 0.0 111.025 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 9.9 p -117.76 87.98 2.82 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.546 1.154 . . . . 0.0 110.402 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 27.9 t -72.65 -3.18 23.36 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.465 1.103 . . . . 0.0 110.035 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -74.83 -44.62 48.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.143 . . . . 0.0 110.33 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.883 HG23 ' O ' ' A' ' 38' ' ' GLN . 0.1 OUTLIER -103.35 -25.33 13.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.561 1.163 . . . . 0.0 110.392 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.449 ' SG ' ' CB ' ' A' ' 20' ' ' ALA . 21.7 t -64.34 136.39 96.74 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 108.315 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.41 ' HD2' ' SG ' ' A' ' 11' ' ' CYS . 18.2 Cg_endo -75.03 -5.48 16.84 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.476 1.777 . . . . 0.0 110.98 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 86.4 m-85 -115.62 130.67 56.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 110.973 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.53 31.41 6.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 109.335 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 4.6 t30 -101.12 -54.83 2.7 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.472 1.108 . . . . 0.0 109.294 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -165.17 158.98 17.1 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.471 1.107 . . . . 0.0 109.302 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.536 ' HB3' ' CG ' ' A' ' 6' ' ' TYR . 58.4 p -71.38 -30.77 66.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.564 1.165 . . . . 0.0 110.038 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.434 ' O ' ' N ' ' A' ' 22' ' ' ASP . 45.4 mt-30 -67.04 -27.31 67.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 110.261 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 51.7 tp -67.6 -65.17 0.72 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 109.308 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.449 ' CB ' ' SG ' ' A' ' 11' ' ' CYS . . . -55.75 -34.26 65.03 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 0.0 109.27 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' TRP . . . . . 0.557 ' HB2' ' CZ ' ' A' ' 40' ' ' PHE . 5.2 t-105 -72.2 -40.05 68.15 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 107.988 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.434 ' N ' ' O ' ' A' ' 18' ' ' GLN . 8.8 m-20 -64.97 -14.34 59.9 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.104 . . . . 0.0 109.273 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.513 HG22 ' N ' ' A' ' 24' ' ' CYS . 0.8 OUTLIER -89.02 -65.66 1.0 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 110.4 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.513 ' N ' HG22 ' A' ' 23' ' ' THR . 0.0 OUTLIER -65.1 -68.38 0.37 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.452 1.095 . . . . 0.0 108.301 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.432 ' O ' ' SD ' ' A' ' 51' ' ' MET . 0.0 OUTLIER -80.52 52.41 1.64 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 110.05 179.969 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.964 0 O-C-N 124.513 1.133 . . . . 0.0 111.055 179.958 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.42 ' HB2' ' HB1' ' A' ' 52' ' ' ALA . 0.8 OUTLIER -73.71 154.0 39.83 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 108.323 179.971 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 158.78 -176.04 35.71 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.52 1.137 . . . . 0.0 110.975 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.424 ' HA ' ' HB2' ' A' ' 49' ' ' ALA . 90.7 m -84.52 -4.52 59.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 0.771 . . . . 0.0 110.434 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.446 ' O ' ' HB2' ' A' ' 38' ' ' GLN . 59.6 t -73.89 -44.04 51.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.113 . . . . 0.0 109.286 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.404 ' C ' ' SG ' ' A' ' 48' ' ' CYS . 0.0 OUTLIER -63.02 -14.76 51.89 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 108.325 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.535 ' SG ' ' N ' ' A' ' 37' ' ' GLY . 0.5 OUTLIER -56.03 -52.54 63.88 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.534 1.146 . . . . 0.0 108.298 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.535 ' N ' ' SG ' ' A' ' 36' ' ' CYS . . . -113.64 41.04 2.31 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.49 1.119 . . . . 0.0 111.034 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.883 ' O ' HG23 ' A' ' 10' ' ' THR . 0.7 OUTLIER -118.45 -53.28 2.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 0.763 . . . . 0.0 110.335 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.426 ' SG ' ' HB1' ' A' ' 20' ' ' ALA . 75.3 m -109.79 -21.94 12.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 108.287 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.557 ' CZ ' ' HB2' ' A' ' 21' ' ' TRP . 1.1 m-85 -135.39 -175.52 3.96 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 111.056 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.506 ' O ' ' HB ' ' A' ' 44' ' ' VAL . 2.1 m -152.65 156.67 39.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.993 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.746 ' CD2' ' HA ' ' A' ' 43' ' ' PRO . 0.2 OUTLIER -53.53 154.07 6.89 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.11 . . . . 0.0 110.996 179.969 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.746 ' HA ' ' CD2' ' A' ' 42' ' ' PHE . 18.2 Cg_endo -75.07 8.02 10.6 Favored 'Cis proline' 0 C--N 1.36 1.178 0 C-N-CA 121.004 -2.499 . . . . 0.0 110.979 0.061 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.745 HG21 ' CG ' ' A' ' 5' ' ' PHE . 2.2 t -70.53 -39.15 75.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.122 . . . . 0.0 109.307 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.492 ' H ' ' C ' ' A' ' 41' ' ' SER . 0.4 OUTLIER -51.4 -21.61 2.42 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.105 . . . . 0.0 110.011 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.583 ' HB2' ' CE1' ' A' ' 42' ' ' PHE . 4.7 tp-100 -77.98 -31.51 50.8 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.437 1.085 . . . . 0.0 110.314 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . 0.418 ' N ' ' O ' ' A' ' 44' ' ' VAL . 1.5 m -75.9 -38.33 57.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.127 . . . . 0.0 109.982 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . 0.472 ' O ' ' HB2' ' A' ' 52' ' ' ALA . 0.1 OUTLIER -59.14 -55.14 38.79 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.491 1.119 . . . . 0.0 108.268 -179.951 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.424 ' HB2' ' HA ' ' A' ' 33' ' ' THR . . . -73.78 -4.71 36.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 109.268 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -93.75 -50.93 2.22 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.498 1.124 . . . . 0.0 110.971 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . 0.453 ' SD ' ' CZ2' ' A' ' 21' ' ' TRP . 0.3 OUTLIER -85.76 14.64 5.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 0.754 . . . . 0.0 110.999 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.472 ' HB2' ' O ' ' A' ' 48' ' ' CYS . . . . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 109.326 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.349 -0.611 . . . . 0.0 109.349 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.98 -29.77 44.31 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.515 1.134 . . . . 0.0 110.269 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -74.58 -5.97 45.9 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.475 1.109 . . . . 0.0 109.272 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . 0.534 ' CG ' HG21 ' A' ' 44' ' ' VAL . 17.7 m-85 -126.61 15.58 7.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 111.014 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -77.78 106.53 9.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.142 . . . . 0.0 111.032 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 8.9 p -92.15 87.13 6.0 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.139 . . . . 0.0 110.425 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 31.3 t -70.76 -5.2 28.26 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 110.02 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.12 -49.67 34.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.577 1.173 . . . . 0.0 110.305 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.906 HG23 ' O ' ' A' ' 38' ' ' GLN . 0.1 OUTLIER -96.79 -26.4 15.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 110.383 -179.961 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.414 ' SG ' ' HD2' ' A' ' 12' ' ' PRO . 11.3 t -64.49 136.6 96.83 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.13 . . . . 0.0 108.321 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.414 ' HD2' ' SG ' ' A' ' 11' ' ' CYS . 18.3 Cg_endo -75.07 -8.54 20.08 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.554 1.818 . . . . 0.0 111.01 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 95.8 m-85 -110.62 142.64 42.2 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 110.974 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.426 ' HD3' ' N ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -134.69 28.57 3.59 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 1.109 . . . . 0.0 109.309 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 12.9 t30 -100.71 -54.4 2.84 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 109.312 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -163.01 152.01 14.78 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.486 1.116 . . . . 0.0 109.301 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 79.3 p -66.48 -34.56 78.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 110.054 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 45.1 tt0 -65.68 -22.08 66.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 110.271 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 57.7 tp -71.72 -62.14 1.53 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 109.281 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.412 ' CB ' ' SG ' ' A' ' 11' ' ' CYS . . . -57.86 -33.36 68.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 109.299 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' TRP . . . . . 0.527 ' CE2' ' HB2' ' A' ' 25' ' ' SER . 4.8 t-105 -71.94 -38.42 69.82 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.14 . . . . 0.0 108.006 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -64.93 -12.11 45.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 109.265 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.471 HG22 ' N ' ' A' ' 24' ' ' CYS . 0.8 OUTLIER -89.49 -62.98 1.35 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 0.0 110.37 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.471 ' N ' HG22 ' A' ' 23' ' ' THR . 0.0 OUTLIER -73.36 -71.61 0.3 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 0.0 108.314 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.527 ' HB2' ' CE2' ' A' ' 21' ' ' TRP . 0.1 OUTLIER -80.54 52.68 1.7 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 110.0 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.969 0 O-C-N 124.46 1.1 . . . . 0.0 111.027 179.972 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . 0.402 ' OD1' ' CG2' ' A' ' 23' ' ' THR . 13.4 p30 . . . . . 0 N--CA 1.454 -0.268 0 N-CA-C 109.295 -0.632 . . . . 0.0 109.295 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 1.8 p -70.71 147.47 49.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 108.265 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 166.92 -177.83 41.46 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.51 1.131 . . . . 0.0 111.013 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.413 ' O ' ' SG ' ' A' ' 36' ' ' CYS . 41.0 m -84.6 -4.26 58.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 0.784 . . . . 0.0 110.404 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.438 ' O ' ' HB2' ' A' ' 38' ' ' GLN . 93.6 t -73.76 -42.92 54.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.249 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -62.73 -15.29 52.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.449 1.093 . . . . 0.0 108.262 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.542 ' SG ' ' N ' ' A' ' 37' ' ' GLY . 0.5 OUTLIER -55.23 -53.16 59.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 108.269 -179.954 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.542 ' N ' ' SG ' ' A' ' 36' ' ' CYS . . . -113.96 43.25 1.74 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.48 1.113 . . . . 0.0 111.033 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.906 ' O ' HG23 ' A' ' 10' ' ' THR . 2.3 tt0 -120.3 -52.11 2.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 0.752 . . . . 0.0 110.241 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 88.9 m -111.76 -20.94 11.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 108.339 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.52 ' CZ ' ' HB2' ' A' ' 21' ' ' TRP . 1.1 m-85 -135.76 -178.61 5.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.103 . . . . 0.0 111.05 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.513 ' O ' ' HB ' ' A' ' 44' ' ' VAL . 0.0 OUTLIER -149.63 157.02 42.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 110.039 179.961 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.735 ' CD2' ' HA ' ' A' ' 43' ' ' PRO . 0.2 OUTLIER -54.01 154.31 7.77 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.54 1.15 . . . . 0.0 110.966 -179.968 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.735 ' HA ' ' CD2' ' A' ' 42' ' ' PHE . 18.4 Cg_endo -74.93 8.29 10.03 Favored 'Cis proline' 0 C--N 1.36 1.152 0 C-N-CA 121.033 -2.486 . . . . 0.0 111.012 -0.061 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.534 HG21 ' CG ' ' A' ' 5' ' ' PHE . 2.2 t -70.68 -39.35 75.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.444 1.09 . . . . 0.0 109.308 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.494 ' H ' ' C ' ' A' ' 41' ' ' SER . 0.6 OUTLIER -52.03 -25.34 8.29 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.492 1.12 . . . . 0.0 110.019 179.976 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.561 ' HB2' ' CE1' ' A' ' 42' ' ' PHE . 16.8 tt0 -74.91 -30.41 61.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 110.267 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.4 m -76.14 -39.94 53.84 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.532 1.145 . . . . 0.0 110.014 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . 0.525 ' O ' ' HB2' ' A' ' 52' ' ' ALA . 0.4 OUTLIER -54.01 -60.21 3.63 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.552 1.158 . . . . 0.0 108.304 179.964 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.54 -15.97 61.83 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.113 . . . . 0.0 109.294 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -81.19 -54.44 3.56 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.548 1.155 . . . . 0.0 111.012 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . 0.402 ' HB3' ' CB ' ' A' ' 25' ' ' SER . 1.0 OUTLIER -85.48 15.0 4.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 0.771 . . . . 0.0 110.975 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.525 ' HB2' ' O ' ' A' ' 48' ' ' CYS . . . . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.543 1.152 . . . . 0.0 109.286 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.271 -0.641 . . . . 0.0 109.271 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.08 -31.87 53.08 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 110.266 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 22.6 m-20 -74.31 -4.25 35.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 109.334 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . 0.655 ' CG ' HG21 ' A' ' 44' ' ' VAL . 11.7 m-85 -128.84 17.93 6.21 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 110.971 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . 0.52 ' CG ' ' HB3' ' A' ' 17' ' ' SER . 2.5 t80 -78.46 118.18 20.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.098 . . . . 0.0 110.984 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.403 ' O ' ' HB2' ' A' ' 11' ' ' CYS . 65.4 p -103.41 83.54 2.19 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.109 . . . . 0.0 110.424 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.4 t -65.3 -10.03 29.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 109.997 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -69.8 -57.96 4.46 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.547 1.154 . . . . 0.0 110.295 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.919 HG23 ' O ' ' A' ' 38' ' ' GLN . 0.2 OUTLIER -85.35 -29.35 24.54 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.48 1.113 . . . . 0.0 110.364 -179.968 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.456 ' SG ' ' CB ' ' A' ' 20' ' ' ALA . 6.7 t -64.22 137.27 97.07 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 108.252 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.558 ' HG2' ' CE2' ' A' ' 13' ' ' TYR . 18.3 Cg_endo -75.0 -12.07 21.49 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.489 1.784 . . . . 0.0 111.04 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.617 ' CD1' HD11 ' A' ' 19' ' ' LEU . 50.6 m-85 -117.02 139.1 51.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.118 . . . . 0.0 110.966 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.96 32.03 4.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.288 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 4.8 t-20 -98.0 -42.85 7.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 109.302 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -165.24 151.33 9.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.566 1.166 . . . . 0.0 109.295 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.52 ' HB3' ' CG ' ' A' ' 6' ' ' TYR . 37.6 p -70.81 -35.53 72.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 110.034 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 96.0 mt-30 -72.89 -23.64 60.74 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 110.284 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.753 HD13 ' N ' ' A' ' 20' ' ' ALA . 0.4 OUTLIER -64.33 -59.55 4.24 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.525 1.141 . . . . 0.0 109.333 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.753 ' N ' HD13 ' A' ' 19' ' ' LEU . . . -59.93 -34.62 73.47 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.474 1.109 . . . . 0.0 109.302 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' TRP . . . . . 0.543 ' HB2' ' CZ ' ' A' ' 40' ' ' PHE . 2.7 t-105 -67.37 -40.56 85.74 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 107.998 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -64.46 -13.56 52.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.31 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -89.05 -50.52 6.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 110.361 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.506 ' O ' ' CB ' ' A' ' 31' ' ' CYS . 0.0 OUTLIER -83.99 -70.97 0.53 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.507 1.13 . . . . 0.0 108.276 -179.972 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.512 ' HB2' ' CE2' ' A' ' 21' ' ' TRP . 0.0 OUTLIER -79.92 52.1 1.44 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 109.98 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 O-C-N 124.556 1.16 . . . . 0.0 110.982 179.952 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 26.9 p30 . . . . . 0 N--CA 1.452 -0.349 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.506 ' CB ' ' O ' ' A' ' 24' ' ' CYS . 12.8 p -63.06 130.97 46.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 108.312 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 175.14 -175.89 47.16 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.531 1.144 . . . . 0.0 110.992 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.547 ' HA ' ' HB2' ' A' ' 49' ' ' ALA . 95.7 m -84.5 -4.94 59.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 0.767 . . . . 0.0 110.392 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.427 ' O ' ' HB2' ' A' ' 38' ' ' GLN . 53.1 t -74.52 -41.4 49.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.52 1.138 . . . . 0.0 109.289 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.413 ' C ' ' SG ' ' A' ' 48' ' ' CYS . 0.0 OUTLIER -62.91 -14.75 50.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.135 . . . . 0.0 108.267 -179.981 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.533 ' SG ' ' N ' ' A' ' 37' ' ' GLY . 0.6 OUTLIER -54.34 -52.7 60.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 108.29 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.533 ' N ' ' SG ' ' A' ' 36' ' ' CYS . . . -113.98 40.32 2.53 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.492 1.12 . . . . 0.0 110.969 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.919 ' O ' HG23 ' A' ' 10' ' ' THR . 5.5 tp60 -120.74 -45.07 2.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 0.757 . . . . 0.0 110.322 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.428 ' SG ' ' HB1' ' A' ' 20' ' ' ALA . 55.4 m -114.16 -26.0 8.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 108.264 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.543 ' CZ ' ' HB2' ' A' ' 21' ' ' TRP . 0.4 OUTLIER -135.43 -173.02 3.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.465 1.103 . . . . 0.0 111.014 -179.968 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.494 ' O ' ' HB ' ' A' ' 44' ' ' VAL . 2.3 m -151.29 157.26 42.32 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.537 1.148 . . . . 0.0 110.042 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.714 ' CG ' ' HA ' ' A' ' 43' ' ' PRO . 0.1 OUTLIER -55.43 155.79 9.41 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 110.982 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.714 ' HA ' ' CG ' ' A' ' 42' ' ' PHE . 18.5 Cg_endo -74.97 8.74 9.73 Favored 'Cis proline' 0 C--N 1.36 1.149 0 C-N-CA 121.025 -2.489 . . . . 0.0 111.037 -0.063 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.655 HG21 ' CG ' ' A' ' 5' ' ' PHE . 2.1 t -71.53 -39.07 70.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.435 1.084 . . . . 0.0 109.303 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.542 ' HB3' ' N ' ' A' ' 42' ' ' PHE . 0.1 OUTLIER -51.22 -22.77 2.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 0.0 110.053 179.969 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.565 ' HB2' ' CE1' ' A' ' 42' ' ' PHE . 6.1 tt0 -76.04 -31.94 59.09 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.518 1.137 . . . . 0.0 110.283 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.5 m -76.25 -36.53 58.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.151 . . . . 0.0 109.985 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . 0.413 ' SG ' ' C ' ' A' ' 35' ' ' CYS . 0.1 OUTLIER -60.14 -52.92 63.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 108.313 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.547 ' HB2' ' HA ' ' A' ' 33' ' ' THR . . . -77.22 -0.04 23.71 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.437 1.086 . . . . 0.0 109.301 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -99.89 -47.07 1.81 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.467 1.104 . . . . 0.0 110.987 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . 0.52 ' CB ' ' CZ2' ' A' ' 21' ' ' TRP . 1.0 OUTLIER -85.83 10.88 12.47 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 0.768 . . . . 0.0 111.042 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 109.325 179.957 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . 0.422 ' HG2' ' N ' ' A' ' 4' ' ' ASP . 4.2 pm0 -54.41 -31.21 54.62 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.458 1.099 . . . . 0.0 110.364 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . 0.422 ' N ' ' HG2' ' A' ' 3' ' ' GLU . 0.2 OUTLIER -74.53 -13.23 60.65 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.52 1.138 . . . . 0.0 109.335 179.963 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . 0.705 ' CG ' HG21 ' A' ' 44' ' ' VAL . 23.7 m-85 -119.85 15.85 12.61 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.497 1.123 . . . . 0.0 110.953 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . 0.53 ' CG ' ' HB3' ' A' ' 17' ' ' SER . 5.4 t80 -77.72 132.41 38.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.137 . . . . 0.0 110.999 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.407 ' O ' ' HB2' ' A' ' 11' ' ' CYS . 42.8 p -114.47 86.38 2.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.453 1.096 . . . . 0.0 110.409 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 29.0 t -71.58 -3.63 22.51 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.509 1.131 . . . . 0.0 109.991 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.87 -54.63 6.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 110.334 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.843 HG23 ' O ' ' A' ' 38' ' ' GLN . 0.7 OUTLIER -92.39 -26.17 18.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.138 . . . . 0.0 110.387 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.457 ' SG ' ' CB ' ' A' ' 20' ' ' ALA . 35.3 t -64.17 136.44 96.75 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.544 1.152 . . . . 0.0 108.281 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.401 ' HD2' ' SG ' ' A' ' 11' ' ' CYS . 18.3 Cg_endo -74.98 -1.99 11.94 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.473 1.775 . . . . 0.0 111.016 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 94.2 m-85 -118.15 131.64 56.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 0.0 110.989 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.39 34.41 5.03 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.466 1.104 . . . . 0.0 109.29 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 4.6 t30 -105.5 -54.18 2.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.12 . . . . 0.0 109.305 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -165.19 156.74 14.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 109.298 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.53 ' HB3' ' CG ' ' A' ' 6' ' ' TYR . 66.3 p -69.91 -32.33 70.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 110.031 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.512 ' O ' ' CB ' ' A' ' 22' ' ' ASP . 49.3 mt-30 -65.65 -24.13 66.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.455 1.097 . . . . 0.0 110.292 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 43.2 tp -70.55 -65.92 0.67 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 0.0 109.278 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.457 ' CB ' ' SG ' ' A' ' 11' ' ' CYS . . . -55.34 -33.78 63.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.259 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' TRP . . . . . 0.57 ' HB2' ' CZ ' ' A' ' 40' ' ' PHE . 5.5 t-105 -74.5 -41.23 61.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.117 . . . . 0.0 108.059 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.512 ' CB ' ' O ' ' A' ' 18' ' ' GLN . 4.4 t70 -65.33 -11.69 44.39 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.441 1.088 . . . . 0.0 109.314 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.418 HG22 ' N ' ' A' ' 24' ' ' CYS . 0.8 OUTLIER -85.65 -61.05 1.85 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.53 1.143 . . . . 0.0 110.392 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.438 ' SG ' ' N ' ' A' ' 25' ' ' SER . 0.0 OUTLIER -79.81 -67.37 0.77 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 108.326 179.958 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.513 ' HB2' ' CE2' ' A' ' 21' ' ' TRP . 0.1 OUTLIER -77.76 53.19 1.1 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.477 1.111 . . . . 0.0 110.035 179.962 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.031 0 O-C-N 124.534 1.146 . . . . 0.0 110.954 -179.984 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 25.3 p30 . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.435 ' CB ' ' O ' ' A' ' 24' ' ' CYS . 0.6 OUTLIER -60.84 137.3 58.22 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 108.252 -179.965 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 176.18 -173.65 46.41 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.441 1.088 . . . . 0.0 111.005 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.437 ' HA ' ' SG ' ' A' ' 36' ' ' CYS . 88.7 m -85.28 -6.33 59.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 0.759 . . . . 0.0 110.402 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.497 ' O ' ' HB2' ' A' ' 38' ' ' GLN . 70.4 t -82.76 -34.65 11.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.311 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -63.37 -19.05 64.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 108.345 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.8 ' SG ' ' HB2' ' A' ' 49' ' ' ALA . 73.6 m -55.63 -78.97 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.542 1.151 . . . . 0.0 108.276 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -84.7 48.63 4.09 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.471 1.107 . . . . 0.0 111.015 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.843 ' O ' HG23 ' A' ' 10' ' ' THR . 2.0 tt0 -120.45 -59.85 1.73 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.428 0.723 . . . . 0.0 110.306 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 61.1 m -112.06 -13.51 13.56 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.457 1.098 . . . . 0.0 108.297 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.57 ' CZ ' ' HB2' ' A' ' 21' ' ' TRP . 1.2 m-85 -135.1 174.5 10.54 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.123 . . . . 0.0 110.99 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.516 ' C ' ' H ' ' A' ' 45' ' ' SER . 3.3 m -143.71 158.23 43.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 109.962 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.741 ' CD2' ' HA ' ' A' ' 43' ' ' PRO . 0.2 OUTLIER -54.73 153.92 10.16 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.511 1.132 . . . . 0.0 111.0 -179.953 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.741 ' HA ' ' CD2' ' A' ' 42' ' ' PHE . 18.3 Cg_endo -74.99 6.46 11.63 Favored 'Cis proline' 0 C--N 1.36 1.162 0 C-N-CA 121.006 -2.497 . . . . 0.0 111.001 -0.022 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.705 HG21 ' CG ' ' A' ' 5' ' ' PHE . 2.0 t -70.17 -36.97 70.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 109.313 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.516 ' H ' ' C ' ' A' ' 41' ' ' SER . 0.6 OUTLIER -52.52 -17.84 1.43 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.54 1.15 . . . . 0.0 110.024 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.615 ' HB2' ' CE1' ' A' ' 42' ' ' PHE . 0.4 OUTLIER -89.08 -25.23 22.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 110.281 179.967 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . 0.449 ' N ' ' O ' ' A' ' 44' ' ' VAL . 2.5 t -75.19 -37.94 61.01 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.524 1.14 . . . . 0.0 110.052 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . 0.433 ' SG ' ' N ' ' A' ' 36' ' ' CYS . 0.1 OUTLIER -54.08 -66.24 0.43 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 108.305 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.8 ' HB2' ' SG ' ' A' ' 36' ' ' CYS . . . -59.48 -16.16 22.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 0.0 109.273 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -80.16 -52.96 4.35 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.477 1.111 . . . . 0.0 111.039 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . 0.433 ' HB3' ' CB ' ' A' ' 25' ' ' SER . 3.9 tpt -85.47 14.34 5.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 0.78 . . . . 0.0 110.998 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 0.0 109.321 179.996 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.452 -0.344 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -55.94 -29.33 59.96 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 110.292 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -74.24 -5.56 42.72 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.472 1.107 . . . . 0.0 109.276 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 18.4 m-85 -126.88 16.71 7.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 110.983 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . 0.539 ' CG ' ' HB3' ' A' ' 17' ' ' SER . 5.5 t80 -78.79 132.57 36.95 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.47 1.107 . . . . 0.0 111.002 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.424 ' O ' ' OG1' ' A' ' 7' ' ' THR . 8.7 p -121.53 89.38 3.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 110.432 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -67.69 -8.39 34.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.471 1.107 . . . . 0.0 110.005 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -68.96 -46.1 69.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.112 . . . . 0.0 110.27 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.914 HG23 ' O ' ' A' ' 38' ' ' GLN . 0.5 OUTLIER -99.13 -27.91 13.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.133 . . . . 0.0 110.381 -179.983 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.463 ' SG ' ' CB ' ' A' ' 20' ' ' ALA . 7.7 t -64.31 137.29 97.08 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 108.258 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.566 ' HG2' ' CE2' ' A' ' 13' ' ' TYR . 18.1 Cg_endo -75.05 -7.61 19.27 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.503 1.791 . . . . 0.0 110.998 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.566 ' CE2' ' HG2' ' A' ' 12' ' ' PRO . 52.5 m-85 -122.68 139.27 54.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 110.98 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.54 34.49 4.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 109.291 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 17.9 t30 -99.35 -45.73 5.75 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 109.352 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -165.47 156.54 14.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.336 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.539 ' HB3' ' CG ' ' A' ' 6' ' ' TYR . 9.3 p -73.62 -34.11 64.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.993 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 42.9 tt0 -74.6 -22.71 58.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 110.322 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.721 HD13 ' N ' ' A' ' 20' ' ' ALA . 0.4 OUTLIER -65.98 -58.52 5.35 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 109.263 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.721 ' N ' HD13 ' A' ' 19' ' ' LEU . . . -60.98 -32.81 72.35 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.498 1.124 . . . . 0.0 109.281 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' TRP . . . . . 0.565 ' HB2' ' CZ ' ' A' ' 40' ' ' PHE . 7.6 t-105 -68.06 -41.01 82.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 108.005 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 35.8 t0 -66.5 -13.08 60.4 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.462 1.101 . . . . 0.0 109.325 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.414 HG22 ' N ' ' A' ' 24' ' ' CYS . 0.7 OUTLIER -84.61 -55.43 4.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 110.424 179.962 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.433 ' SG ' ' N ' ' A' ' 25' ' ' SER . 0.0 OUTLIER -85.91 -71.59 0.53 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 108.289 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.526 ' HB2' ' CE2' ' A' ' 21' ' ' TRP . 0.1 OUTLIER -79.81 51.96 1.39 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.448 1.093 . . . . 0.0 109.967 -179.962 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.944 0 O-C-N 124.489 1.118 . . . . 0.0 111.005 180.0 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 42.6 p-10 . . . . . 0 N--CA 1.454 -0.259 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -63.49 125.19 23.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 108.275 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -170.42 179.05 42.78 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.539 1.149 . . . . 0.0 110.965 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.471 ' HA ' ' SG ' ' A' ' 36' ' ' CYS . 91.8 m -85.49 -5.76 59.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 0.765 . . . . 0.0 110.421 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.455 ' O ' ' HB2' ' A' ' 38' ' ' GLN . 53.2 t -79.25 -35.09 16.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.467 1.105 . . . . 0.0 109.317 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -63.06 -14.13 44.38 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.493 1.121 . . . . 0.0 108.3 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.693 ' SG ' ' HB2' ' A' ' 49' ' ' ALA . 81.4 m -55.52 -69.4 0.14 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 108.283 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -97.56 45.4 1.74 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.538 1.149 . . . . 0.0 110.99 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.914 ' O ' HG23 ' A' ' 10' ' ' THR . 0.1 OUTLIER -121.36 -36.21 3.13 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 0.763 . . . . 0.0 110.294 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.403 ' O ' ' N ' ' A' ' 7' ' ' THR . 70.7 m -125.72 -41.06 2.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.548 1.155 . . . . 0.0 108.307 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.565 ' CZ ' ' HB2' ' A' ' 21' ' ' TRP . 0.5 OUTLIER -114.93 179.39 3.96 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.52 1.137 . . . . 0.0 111.002 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.5 ' O ' ' HB ' ' A' ' 44' ' ' VAL . 2.7 m -140.97 158.75 43.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 110.03 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.712 ' CD2' ' HA ' ' A' ' 43' ' ' PRO . 0.2 OUTLIER -55.17 154.93 9.78 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 111.015 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.712 ' HA ' ' CD2' ' A' ' 42' ' ' PHE . 18.4 Cg_endo -74.95 7.88 10.41 Favored 'Cis proline' 0 C--N 1.36 1.136 0 C-N-CA 121.001 -2.499 . . . . 0.0 111.0 -0.029 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.5 ' HB ' ' O ' ' A' ' 41' ' ' SER . 2.1 t -70.6 -38.59 73.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 0.0 109.322 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.545 ' HB3' ' N ' ' A' ' 42' ' ' PHE . 0.2 OUTLIER -52.74 -18.35 1.79 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.13 . . . . 0.0 110.008 -179.967 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.59 ' HB2' ' CE1' ' A' ' 42' ' ' PHE . 4.2 tt0 -87.53 -24.61 24.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.54 1.15 . . . . 0.0 110.285 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . 0.428 ' N ' ' O ' ' A' ' 44' ' ' VAL . 87.2 p -75.27 -38.05 60.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.096 . . . . 0.0 110.019 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . 0.429 ' O ' ' HB2' ' A' ' 52' ' ' ALA . 1.0 OUTLIER -53.18 -65.49 0.55 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.14 . . . . 0.0 108.305 179.977 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.693 ' HB2' ' SG ' ' A' ' 36' ' ' CYS . . . -58.05 -17.4 17.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 109.334 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -80.51 -55.76 3.34 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.491 1.119 . . . . 0.0 110.962 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . 0.5 ' HB3' ' CZ2' ' A' ' 21' ' ' TRP . 0.6 OUTLIER -85.32 15.53 4.3 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.516 0.774 . . . . 0.0 111.04 179.977 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.429 ' HB2' ' O ' ' A' ' 48' ' ' CYS . . . . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 109.306 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 5.4 tm-20 -53.66 -31.21 46.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 110.284 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -74.07 -4.19 34.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 109.32 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . 0.494 ' CB ' HG21 ' A' ' 44' ' ' VAL . 12.5 m-85 -128.17 13.12 6.67 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.14 . . . . 0.0 110.98 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . 0.542 ' CG ' ' HB3' ' A' ' 17' ' ' SER . 4.6 t80 -78.44 142.32 37.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 111.008 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.424 ' OG1' ' CG2' ' A' ' 10' ' ' THR . 38.4 p -125.94 88.22 2.82 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.43 1.081 . . . . 0.0 110.354 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.24 -11.76 44.42 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 110.003 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -68.95 -48.56 62.89 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.458 1.099 . . . . 0.0 110.328 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.946 HG23 ' O ' ' A' ' 38' ' ' GLN . 0.5 OUTLIER -94.21 -29.23 15.21 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.496 1.122 . . . . 0.0 110.376 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.407 ' SG ' ' CB ' ' A' ' 20' ' ' ALA . 6.1 t -64.37 136.4 96.74 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.5 1.125 . . . . 0.0 108.32 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -13.54 21.38 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.47 1.774 . . . . 0.0 110.98 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.588 ' HB3' HD23 ' A' ' 19' ' ' LEU . 99.7 m-85 -111.1 135.98 50.82 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.486 1.116 . . . . 0.0 111.013 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.22 32.57 5.96 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.117 . . . . 0.0 109.273 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . 0.859 ' HB3' HD22 ' A' ' 19' ' ' LEU . 49.5 t30 -95.71 -60.56 1.62 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.544 1.153 . . . . 0.0 109.338 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -165.81 156.04 12.86 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 109.257 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.542 ' HB3' ' CG ' ' A' ' 6' ' ' TYR . 36.3 p -63.91 -34.17 77.36 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 109.998 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 12.2 mt-30 -66.94 -32.57 73.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 110.294 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.859 HD22 ' HB3' ' A' ' 15' ' ' ASN . 7.9 tp -62.79 -64.97 0.76 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 109.313 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.512 ' HB1' ' SG ' ' A' ' 39' ' ' CYS . . . -56.55 -33.56 66.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.547 1.154 . . . . 0.0 109.303 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' TRP . . . . . 0.524 ' CE2' ' HB2' ' A' ' 25' ' ' SER . 19.0 t-105 -66.48 -44.98 81.18 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 107.996 -1.113 . . . . 0.0 107.996 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 11.7 t0 -65.68 -23.59 66.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.272 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.414 ' HB ' ' O ' ' A' ' 20' ' ' ALA . 0.9 OUTLIER -71.03 -64.16 0.96 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 110.421 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.418 ' O ' ' CB ' ' A' ' 31' ' ' CYS . 0.0 OUTLIER -82.64 -60.29 2.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.13 . . . . 0.0 108.306 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.524 ' HB2' ' CE2' ' A' ' 21' ' ' TRP . 0.1 OUTLIER -76.48 54.04 0.9 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 109.97 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.946 0 O-C-N 124.529 1.143 . . . . 0.0 111.007 179.962 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.454 -0.267 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.418 ' CB ' ' O ' ' A' ' 24' ' ' CYS . 10.3 p -76.18 131.69 39.51 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 108.306 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -176.24 -179.55 46.77 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.536 1.148 . . . . 0.0 111.042 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.448 ' HA ' ' SG ' ' A' ' 36' ' ' CYS . 93.8 m -85.1 -4.44 59.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 0.781 . . . . 0.0 110.393 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.486 ' O ' ' HB2' ' A' ' 38' ' ' GLN . 63.0 t -82.49 -34.71 12.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.551 1.157 . . . . 0.0 109.333 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -63.17 -13.3 35.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 108.258 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.674 ' SG ' ' HB2' ' A' ' 49' ' ' ALA . 72.5 m -54.72 -78.24 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 108.321 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -87.07 42.07 3.13 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.558 1.161 . . . . 0.0 111.003 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.946 ' O ' HG23 ' A' ' 10' ' ' THR . 6.4 tp60 -123.06 -41.69 2.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.475 0.75 . . . . 0.0 110.348 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.512 ' SG ' ' HB1' ' A' ' 20' ' ' ALA . 17.6 m -114.32 -30.11 6.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.122 . . . . 0.0 108.283 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.499 ' CZ ' ' HB2' ' A' ' 21' ' ' TRP . 0.3 OUTLIER -133.8 -177.23 4.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.125 . . . . 0.0 110.987 -179.981 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.498 ' O ' ' HB ' ' A' ' 44' ' ' VAL . 3.1 m -140.81 157.49 45.32 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.459 1.1 . . . . 0.0 110.026 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.72 ' CD2' ' HA ' ' A' ' 43' ' ' PRO . 0.2 OUTLIER -55.04 154.7 9.68 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 111.004 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.72 ' HA ' ' CD2' ' A' ' 42' ' ' PHE . 18.3 Cg_endo -75.01 7.59 10.77 Favored 'Cis proline' 0 C--N 1.359 1.122 0 C-N-CA 121.008 -2.496 . . . . 0.0 110.997 0.031 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.498 ' HB ' ' O ' ' A' ' 41' ' ' SER . 2.1 t -70.58 -38.13 72.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.569 1.168 . . . . 0.0 109.327 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.554 ' HB3' ' N ' ' A' ' 42' ' ' PHE . 0.2 OUTLIER -52.56 -18.52 1.77 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.469 1.105 . . . . 0.0 110.02 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.591 ' HB2' ' CE1' ' A' ' 42' ' ' PHE . 1.3 tt0 -87.07 -24.16 24.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 110.28 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . 0.448 ' N ' ' O ' ' A' ' 44' ' ' VAL . 0.8 OUTLIER -75.57 -38.28 59.31 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.534 1.146 . . . . 0.0 110.001 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . 0.413 ' O ' ' HB2' ' A' ' 52' ' ' ALA . 1.4 t -53.45 -65.1 0.62 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.473 1.108 . . . . 0.0 108.327 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.674 ' HB2' ' SG ' ' A' ' 36' ' ' CYS . . . -57.46 -18.78 20.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.344 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -79.57 -56.83 3.26 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.469 1.105 . . . . 0.0 110.999 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . 0.417 ' O ' ' HA ' ' A' ' 25' ' ' SER . 6.1 tpp -86.52 21.97 2.0 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 0.76 . . . . 0.0 110.964 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.413 ' HB2' ' O ' ' A' ' 48' ' ' CYS . . . . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.131 . . . . 0.0 109.3 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 1.6 pt . . . . . 0 N--CA 1.452 -0.334 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -54.0 -27.28 30.76 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.488 1.118 . . . . 0.0 110.274 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -74.57 -9.35 58.49 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.511 1.132 . . . . 0.0 109.316 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . 0.494 ' CG ' HG21 ' A' ' 44' ' ' VAL . 13.9 m-85 -123.88 16.4 9.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.111 . . . . 0.0 111.03 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . 0.553 ' CG ' ' HB2' ' A' ' 17' ' ' SER . 3.2 t80 -78.2 116.39 18.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 111.002 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.454 ' OG1' ' CG2' ' A' ' 10' ' ' THR . 7.2 p -105.27 90.64 3.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 110.383 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -68.6 -8.85 45.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.982 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.37 -51.3 38.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 110.294 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.943 HG23 ' O ' ' A' ' 38' ' ' GLN . 0.8 OUTLIER -91.52 -27.7 18.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 110.401 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.428 ' SG ' ' HD2' ' A' ' 12' ' ' PRO . 7.4 t -63.96 137.22 97.04 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.51 1.131 . . . . 0.0 108.337 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.428 ' HD2' ' SG ' ' A' ' 11' ' ' CYS . 18.2 Cg_endo -75.01 -24.55 12.69 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.51 1.795 . . . . 0.0 111.004 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 63.7 m-85 -109.1 -179.51 3.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 111.017 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.432 ' HG2' ' N ' ' A' ' 15' ' ' ASN . 0.0 OUTLIER -153.41 -142.42 0.12 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.443 1.09 . . . . 0.0 109.283 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . 0.432 ' N ' ' HG2' ' A' ' 14' ' ' LYS . 1.0 OUTLIER 72.16 -68.76 0.21 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 109.277 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -142.75 156.78 45.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.15 . . . . 0.0 109.346 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.553 ' HB2' ' CG ' ' A' ' 6' ' ' TYR . 11.5 t -75.77 -31.85 59.69 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.507 1.129 . . . . 0.0 110.021 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 15.6 tt0 -65.51 -17.3 64.46 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.547 1.155 . . . . 0.0 110.31 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 43.6 tp -70.45 -64.95 0.8 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.542 1.151 . . . . 0.0 109.299 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.405 ' CB ' ' SG ' ' A' ' 11' ' ' CYS . . . -58.14 -32.03 67.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 109.326 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' TRP . . . . . 0.521 ' HB2' ' CZ ' ' A' ' 40' ' ' PHE . 6.0 t-105 -70.77 -37.56 73.38 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.099 . . . . 0.0 108.044 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -64.74 -13.23 54.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 109.296 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -91.03 -66.25 0.94 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.44 1.088 . . . . 0.0 110.34 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.444 ' SG ' ' N ' ' A' ' 25' ' ' SER . 0.0 OUTLIER -67.52 -71.72 0.2 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 108.318 -179.956 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.514 ' OG ' ' CD2' ' A' ' 21' ' ' TRP . 0.0 OUTLIER -80.98 51.67 1.61 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.439 1.087 . . . . 0.0 109.993 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.056 0 O-C-N 124.502 1.126 . . . . 0.0 110.995 -179.997 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 44.9 p-10 . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -59.09 138.55 57.5 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 108.29 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 170.63 -179.5 42.62 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.518 1.136 . . . . 0.0 111.011 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.416 ' O ' ' SG ' ' A' ' 36' ' ' CYS . 59.6 m -81.33 -5.01 57.38 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.562 0.801 . . . . 0.0 110.447 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.42 ' O ' ' HB2' ' A' ' 38' ' ' GLN . 69.0 t -73.98 -42.07 52.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 109.271 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -63.06 -14.68 51.14 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.473 1.108 . . . . 0.0 108.272 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.552 ' SG ' ' N ' ' A' ' 37' ' ' GLY . 0.5 OUTLIER -55.86 -53.33 58.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.105 . . . . 0.0 108.24 -179.957 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.552 ' N ' ' SG ' ' A' ' 36' ' ' CYS . . . -114.36 42.99 1.79 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.517 1.136 . . . . 0.0 111.015 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.943 ' O ' HG23 ' A' ' 10' ' ' THR . 24.1 tp60 -119.79 -40.35 2.76 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.447 0.734 . . . . 0.0 110.33 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 92.2 m -122.5 -37.29 2.8 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.539 1.149 . . . . 0.0 108.297 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.521 ' CZ ' ' HB2' ' A' ' 21' ' ' TRP . 0.6 OUTLIER -118.64 -176.87 3.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 110.984 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.528 ' O ' ' HB ' ' A' ' 44' ' ' VAL . 0.0 OUTLIER -148.17 156.03 42.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 109.979 -179.974 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.723 ' CD2' ' HA ' ' A' ' 43' ' ' PRO . 0.2 OUTLIER -54.06 154.71 7.34 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 111.043 179.948 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.723 ' HA ' ' CD2' ' A' ' 42' ' ' PHE . 18.4 Cg_endo -75.01 8.7 9.87 Favored 'Cis proline' 0 C--N 1.36 1.152 0 C-N-CA 120.999 -2.501 . . . . 0.0 110.965 0.02 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.528 ' HB ' ' O ' ' A' ' 41' ' ' SER . 2.4 t -70.06 -39.92 77.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.098 . . . . 0.0 109.298 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.493 ' HB3' ' N ' ' A' ' 42' ' ' PHE . 0.1 OUTLIER -51.72 -20.44 2.11 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.548 1.155 . . . . 0.0 109.968 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.581 ' HB2' ' CE1' ' A' ' 42' ' ' PHE . 10.4 tt0 -80.99 -32.22 34.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 110.26 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 17.7 p -76.03 -37.75 58.01 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 110.028 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . 0.448 ' O ' ' HB2' ' A' ' 52' ' ' ALA . 0.1 OUTLIER -54.2 -55.62 26.25 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.134 . . . . 0.0 108.344 179.948 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -68.76 -17.91 64.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.139 . . . . 0.0 109.285 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -77.58 -52.37 5.54 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.466 1.104 . . . . 0.0 110.986 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . 0.443 ' CB ' ' CZ2' ' A' ' 21' ' ' TRP . 0.8 OUTLIER -84.99 13.87 5.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 0.762 . . . . 0.0 110.99 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.448 ' HB2' ' O ' ' A' ' 48' ' ' CYS . . . . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.301 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -55.85 -32.22 63.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.11 . . . . 0.0 110.303 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -74.05 -4.42 35.35 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.112 . . . . 0.0 109.333 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 20.6 m-85 -128.0 18.06 6.66 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 0.0 111.014 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . 0.538 ' CG ' ' HB3' ' A' ' 17' ' ' SER . 5.0 t80 -78.73 134.83 37.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 111.016 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.465 ' N ' ' O ' ' A' ' 39' ' ' CYS . 19.6 p -121.82 89.22 3.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.45 1.094 . . . . 0.0 110.443 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -67.44 -9.63 43.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.987 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -68.46 -50.73 50.35 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.132 . . . . 0.0 110.27 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.901 HG23 ' O ' ' A' ' 38' ' ' GLN . 0.6 OUTLIER -93.94 -28.71 15.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 110.426 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.502 ' SG ' ' CB ' ' A' ' 20' ' ' ALA . 7.9 t -64.55 137.67 97.21 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 108.299 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.569 ' HG2' ' CE2' ' A' ' 13' ' ' TYR . 18.3 Cg_endo -74.99 -4.21 15.07 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.511 1.795 . . . . 0.0 111.0 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.569 ' CE2' ' HG2' ' A' ' 12' ' ' PRO . 28.2 m-85 -124.21 149.23 46.61 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.576 1.172 . . . . 0.0 111.003 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.453 ' HD3' ' N ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -139.32 27.77 2.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 0.0 109.3 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -94.92 -43.68 8.07 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.448 1.092 . . . . 0.0 109.334 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -165.49 155.03 12.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 109.268 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.538 ' HB3' ' CG ' ' A' ' 6' ' ' TYR . 1.8 p -72.99 -33.79 66.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.967 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 76.1 mt-30 -73.1 -26.91 61.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 110.296 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.731 HD13 ' N ' ' A' ' 20' ' ' ALA . 0.3 OUTLIER -62.73 -57.4 11.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 0.0 109.325 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.731 ' N ' HD13 ' A' ' 19' ' ' LEU . . . -61.1 -34.41 74.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 109.312 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' TRP . . . . . 0.543 ' HB2' ' CZ ' ' A' ' 40' ' ' PHE . 9.5 t-105 -68.03 -43.69 78.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.133 . . . . 0.0 107.992 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -65.49 -14.0 60.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.113 . . . . 0.0 109.292 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.511 HG22 ' N ' ' A' ' 24' ' ' CYS . 0.6 OUTLIER -80.44 -58.0 3.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.44 1.088 . . . . 0.0 110.385 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.511 ' N ' HG22 ' A' ' 23' ' ' THR . 0.0 OUTLIER -87.31 -68.38 0.76 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.13 . . . . 0.0 108.303 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.533 ' HB2' ' CE2' ' A' ' 21' ' ' TRP . 0.1 OUTLIER -80.32 51.89 1.5 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.115 . . . . 0.0 109.981 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 O-C-N 124.486 1.116 . . . . 0.0 111.019 -179.996 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 5.8 p30 . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -54.9 133.78 48.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 108.284 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 179.48 177.95 48.09 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.501 1.126 . . . . 0.0 110.991 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.453 ' HA ' ' SG ' ' A' ' 36' ' ' CYS . 96.2 m -85.16 -5.41 59.33 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.522 0.778 . . . . 0.0 110.401 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.466 ' O ' ' HB2' ' A' ' 38' ' ' GLN . 97.5 t -81.34 -34.22 13.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.484 1.115 . . . . 0.0 109.285 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -62.77 -14.67 47.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.149 . . . . 0.0 108.343 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.667 ' SG ' ' HB2' ' A' ' 49' ' ' ALA . 61.4 m -55.99 -76.47 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.548 1.155 . . . . 0.0 108.302 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -88.1 44.14 3.19 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.498 1.124 . . . . 0.0 111.025 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.901 ' O ' HG23 ' A' ' 10' ' ' THR . 3.8 tt0 -121.09 -35.17 3.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 0.777 . . . . 0.0 110.32 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.465 ' O ' ' N ' ' A' ' 7' ' ' THR . 71.1 m -126.55 -44.13 1.7 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.123 . . . . 0.0 108.297 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.543 ' CZ ' ' HB2' ' A' ' 21' ' ' TRP . 0.4 OUTLIER -112.74 178.61 4.23 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 0.0 110.955 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.496 ' O ' ' HB ' ' A' ' 44' ' ' VAL . 1.2 p -139.27 158.06 44.83 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.522 1.139 . . . . 0.0 109.959 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.706 ' CD2' ' HA ' ' A' ' 43' ' ' PRO . 0.2 OUTLIER -54.75 154.83 8.71 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 111.039 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.706 ' HA ' ' CD2' ' A' ' 42' ' ' PHE . 18.4 Cg_endo -74.99 7.82 10.53 Favored 'Cis proline' 0 C--N 1.359 1.114 0 C-N-CA 120.991 -2.504 . . . . 0.0 111.036 0.021 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.496 ' HB ' ' O ' ' A' ' 41' ' ' SER . 2.1 t -70.43 -38.68 74.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 109.358 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.543 ' HB3' ' N ' ' A' ' 42' ' ' PHE . 0.2 OUTLIER -52.73 -18.62 1.92 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 0.0 110.007 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.602 ' HB2' ' CE1' ' A' ' 42' ' ' PHE . 3.7 tt0 -86.5 -24.62 25.49 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.524 1.14 . . . . 0.0 110.296 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.7 m -75.25 -37.81 60.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 110.002 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . 0.499 ' O ' ' HB2' ' A' ' 52' ' ' ALA . 0.8 OUTLIER -53.86 -63.05 1.27 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 108.296 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.667 ' HB2' ' SG ' ' A' ' 36' ' ' CYS . . . -60.49 -15.93 31.86 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.117 . . . . 0.0 109.325 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -82.48 -55.53 3.01 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.438 1.086 . . . . 0.0 110.998 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . 0.519 ' CB ' ' CZ2' ' A' ' 21' ' ' TRP . 0.0 OUTLIER -85.38 15.05 4.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 0.785 . . . . 0.0 111.039 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.499 ' HB2' ' O ' ' A' ' 48' ' ' CYS . . . . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 109.266 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -60.32 -31.0 69.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 0.0 110.3 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 79.1 m-20 -74.11 -5.08 39.52 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.482 1.114 . . . . 0.0 109.306 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 16.3 m-85 -127.41 14.24 7.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 0.0 111.033 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . 0.557 ' CG ' ' HB3' ' A' ' 17' ' ' SER . 4.2 t80 -78.46 128.78 34.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 110.98 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 10.2 p -114.95 89.71 3.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 110.41 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 38.2 t -71.38 -5.29 31.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 109.992 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -73.25 -48.14 37.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 110.295 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.882 HG23 ' O ' ' A' ' 38' ' ' GLN . 0.6 OUTLIER -97.52 -26.32 14.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 110.381 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.406 ' SG ' ' CB ' ' A' ' 20' ' ' ALA . 15.5 t -64.54 136.29 96.71 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.145 . . . . 0.0 108.316 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.405 ' HD2' ' SG ' ' A' ' 11' ' ' CYS . 18.4 Cg_endo -75.0 -20.6 16.71 Favored 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.53 1.805 . . . . 0.0 110.967 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.566 ' HB2' ' HB2' ' A' ' 20' ' ' ALA . 84.4 m-85 -101.48 178.22 4.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 111.006 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.461 ' O ' HD23 ' A' ' 19' ' ' LEU . 0.8 OUTLIER -155.75 -159.28 0.89 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.313 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . 0.444 ' N ' ' HD2' ' A' ' 14' ' ' LYS . 1.6 t30 77.27 -67.58 0.2 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 109.284 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -143.05 160.33 40.58 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.45 1.094 . . . . 0.0 109.296 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.557 ' HB3' ' CG ' ' A' ' 6' ' ' TYR . 79.4 p -77.59 -31.4 53.03 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.5 1.125 . . . . 0.0 110.046 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 19.0 mt-30 -65.11 -18.85 65.65 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.512 1.132 . . . . 0.0 110.308 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.461 HD23 ' O ' ' A' ' 14' ' ' LYS . 52.6 tp -69.45 -55.18 11.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.295 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.566 ' HB2' ' HB2' ' A' ' 13' ' ' TYR . . . -67.94 -34.19 76.11 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.546 1.154 . . . . 0.0 109.329 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' TRP . . . . . 0.584 ' CZ2' ' CB ' ' A' ' 51' ' ' MET . 7.4 t-105 -68.69 -37.85 79.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.106 . . . . 0.0 108.025 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -65.11 -14.95 61.8 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 109.328 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.645 HG22 ' N ' ' A' ' 24' ' ' CYS . 0.7 OUTLIER -84.96 -68.7 0.7 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.13 . . . . 0.0 110.383 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.645 ' N ' HG22 ' A' ' 23' ' ' THR . 0.0 OUTLIER -70.14 -71.62 0.23 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.462 1.101 . . . . 0.0 108.287 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.527 ' HB2' ' CE2' ' A' ' 21' ' ' TRP . 0.1 OUTLIER -77.83 52.73 1.06 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 109.977 180.0 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.02 0 O-C-N 124.523 1.139 . . . . 0.0 110.988 -179.999 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 1.3 p-10 . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -61.39 131.2 49.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 108.3 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -177.21 -177.75 46.36 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.474 1.109 . . . . 0.0 110.997 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.457 ' HA ' ' SG ' ' A' ' 36' ' ' CYS . 96.5 m -85.14 -6.28 59.3 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 0.774 . . . . 0.0 110.388 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.5 ' O ' ' HB2' ' A' ' 38' ' ' GLN . 70.6 t -81.43 -34.28 13.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 0.0 109.323 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -62.79 -18.56 62.91 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.458 1.099 . . . . 0.0 108.326 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.734 ' SG ' ' HB2' ' A' ' 49' ' ' ALA . 63.4 m -54.64 -77.14 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.119 . . . . 0.0 108.296 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -87.11 48.0 3.76 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.518 1.136 . . . . 0.0 110.991 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.882 ' O ' HG23 ' A' ' 10' ' ' THR . 2.5 tp60 -120.98 -50.23 2.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 0.769 . . . . 0.0 110.321 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.404 ' SG ' ' HD2' ' A' ' 12' ' ' PRO . 75.4 m -115.05 -34.74 4.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.559 1.162 . . . . 0.0 108.326 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.559 ' CZ ' ' HB2' ' A' ' 21' ' ' TRP . 0.9 OUTLIER -118.74 177.28 4.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 110.963 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.489 ' O ' ' HB ' ' A' ' 44' ' ' VAL . 0.3 OUTLIER -140.8 158.9 43.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.532 1.145 . . . . 0.0 109.967 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.712 ' CD2' ' HA ' ' A' ' 43' ' ' PRO . 0.2 OUTLIER -55.05 154.85 9.43 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 110.982 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.712 ' HA ' ' CD2' ' A' ' 42' ' ' PHE . 18.4 Cg_endo -74.96 7.58 10.67 Favored 'Cis proline' 0 C--N 1.36 1.17 0 C-N-CA 121.01 -2.496 . . . . 0.0 111.019 -0.027 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.489 ' HB ' ' O ' ' A' ' 41' ' ' SER . 2.1 t -70.56 -38.21 72.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 109.299 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.553 ' HB3' ' N ' ' A' ' 42' ' ' PHE . 0.2 OUTLIER -52.33 -18.78 1.73 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.43 1.081 . . . . 0.0 110.01 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.601 ' HB2' ' CE1' ' A' ' 42' ' ' PHE . 10.4 tt0 -86.6 -25.38 24.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.451 1.094 . . . . 0.0 110.298 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . 0.421 ' N ' ' O ' ' A' ' 44' ' ' VAL . 3.4 m -75.45 -37.49 60.31 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 0.0 110.024 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . 0.404 ' SG ' ' N ' ' A' ' 36' ' ' CYS . 0.1 OUTLIER -53.74 -65.22 0.6 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 108.315 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.734 ' HB2' ' SG ' ' A' ' 36' ' ' CYS . . . -58.8 -16.84 18.94 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 109.286 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -80.93 -54.24 3.69 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.504 1.128 . . . . 0.0 111.018 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . 0.584 ' CB ' ' CZ2' ' A' ' 21' ' ' TRP . 0.0 OUTLIER -85.35 15.51 4.34 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 0.747 . . . . 0.0 110.962 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.474 1.109 . . . . 0.0 109.234 -179.995 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.452 -0.325 0 N-CA-C 109.33 -0.619 . . . . 0.0 109.33 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.61 -30.58 63.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.549 1.156 . . . . 0.0 110.288 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 37.5 m-20 -74.06 -4.79 37.67 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.481 1.113 . . . . 0.0 109.32 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 12.3 m-85 -126.87 17.55 7.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.554 1.159 . . . . 0.0 110.985 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . 0.527 ' CG ' ' HB3' ' A' ' 17' ' ' SER . 5.0 t80 -78.61 128.44 33.5 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.52 1.138 . . . . 0.0 110.992 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.408 ' N ' ' O ' ' A' ' 39' ' ' CYS . 9.8 p -116.55 91.29 3.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.553 1.158 . . . . 0.0 110.399 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . 0.401 ' OG ' ' HA ' ' A' ' 14' ' ' LYS . 0.1 OUTLIER -70.9 -5.83 33.7 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 110.011 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -71.63 -43.91 65.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.447 1.092 . . . . 0.0 110.311 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.929 HG23 ' O ' ' A' ' 38' ' ' GLN . 0.4 OUTLIER -102.05 -27.88 12.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 0.0 110.388 -179.96 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.488 ' SG ' ' CB ' ' A' ' 20' ' ' ALA . 8.4 t -64.61 137.48 97.15 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 108.284 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.536 ' HG2' ' CE2' ' A' ' 13' ' ' TYR . 18.3 Cg_endo -74.97 -5.19 16.48 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.52 1.8 . . . . 0.0 111.042 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.577 ' HB3' HD12 ' A' ' 19' ' ' LEU . 24.7 m-85 -122.75 148.65 45.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.135 . . . . 0.0 110.977 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.463 ' HD3' ' N ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -140.01 28.35 2.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.113 . . . . 0.0 109.303 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -96.96 -42.64 7.82 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 109.287 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -165.51 152.4 10.24 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.528 1.142 . . . . 0.0 109.313 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.527 ' HB3' ' CG ' ' A' ' 6' ' ' TYR . 1.6 p -71.42 -35.26 70.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 109.971 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.407 ' O ' ' N ' ' A' ' 22' ' ' ASP . 5.2 mt-30 -70.93 -27.25 63.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 110.294 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.72 HD13 ' N ' ' A' ' 20' ' ' ALA . 0.3 OUTLIER -62.53 -57.31 11.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.547 1.154 . . . . 0.0 109.339 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.72 ' N ' HD13 ' A' ' 19' ' ' LEU . . . -59.89 -34.23 72.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 0.0 109.294 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' TRP . . . . . 0.59 ' CZ2' ' CB ' ' A' ' 51' ' ' MET . 7.1 t-105 -70.68 -40.08 73.15 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 107.987 -1.116 . . . . 0.0 107.987 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.407 ' N ' ' O ' ' A' ' 18' ' ' GLN . 0.4 OUTLIER -64.6 -13.44 53.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 109.264 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.688 HG22 ' N ' ' A' ' 24' ' ' CYS . 0.7 OUTLIER -83.99 -70.15 0.59 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 110.408 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.688 ' N ' HG22 ' A' ' 23' ' ' THR . 0.0 OUTLIER -70.25 -70.53 0.29 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 108.314 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.446 ' N ' ' SG ' ' A' ' 24' ' ' CYS . 0.0 OUTLIER -77.42 52.1 0.92 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 109.989 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.015 0 O-C-N 124.469 1.106 . . . . 0.0 110.983 -179.967 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 1.1 p-10 . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.504 ' CB ' ' O ' ' A' ' 24' ' ' CYS . 1.2 p -67.07 141.88 57.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.558 1.161 . . . . 0.0 108.279 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 179.75 -179.43 48.83 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.493 1.121 . . . . 0.0 110.978 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.471 ' HA ' ' SG ' ' A' ' 36' ' ' CYS . 52.5 m -85.41 -5.98 59.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 0.77 . . . . 0.0 110.425 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.452 ' O ' ' HB2' ' A' ' 38' ' ' GLN . 60.4 t -79.64 -35.68 16.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.272 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -62.7 -14.75 47.79 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.134 . . . . 0.0 108.334 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.706 ' SG ' ' HB2' ' A' ' 49' ' ' ALA . 85.0 m -55.84 -68.33 0.21 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 108.303 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -98.22 45.84 1.62 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.437 1.086 . . . . 0.0 111.002 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.929 ' O ' HG23 ' A' ' 10' ' ' THR . 8.1 tp60 -121.28 -36.8 3.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 0.762 . . . . 0.0 110.296 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.427 ' HA ' ' HB2' ' A' ' 11' ' ' CYS . 71.8 m -125.46 -39.43 2.18 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 108.275 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.562 ' CZ ' ' HB2' ' A' ' 21' ' ' TRP . 0.6 OUTLIER -116.3 177.98 4.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 111.023 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.513 ' O ' ' HB ' ' A' ' 44' ' ' VAL . 0.0 OUTLIER -139.94 158.02 44.75 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 110.017 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.696 ' CD2' ' HA ' ' A' ' 43' ' ' PRO . 0.2 OUTLIER -55.05 154.86 9.42 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 110.982 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.696 ' HA ' ' CD2' ' A' ' 42' ' ' PHE . 18.2 Cg_endo -75.01 8.35 10.14 Favored 'Cis proline' 0 C--N 1.36 1.172 0 C-N-CA 121.035 -2.485 . . . . 0.0 110.959 0.004 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.513 ' HB ' ' O ' ' A' ' 41' ' ' SER . 2.1 t -70.91 -38.52 72.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.537 1.148 . . . . 0.0 109.288 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.545 ' HB3' ' N ' ' A' ' 42' ' ' PHE . 0.1 OUTLIER -52.73 -18.42 1.82 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.464 1.103 . . . . 0.0 109.966 -179.945 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.584 ' HB2' ' CE1' ' A' ' 42' ' ' PHE . 0.5 OUTLIER -87.59 -25.01 23.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.531 1.145 . . . . 0.0 110.294 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . 0.435 ' N ' ' O ' ' A' ' 44' ' ' VAL . 3.9 m -75.19 -37.53 61.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 110.022 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -53.15 -68.16 0.19 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.471 1.107 . . . . 0.0 108.319 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.706 ' HB2' ' SG ' ' A' ' 36' ' ' CYS . . . -55.36 -19.38 8.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.101 . . . . 0.0 109.288 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -78.03 -52.78 5.16 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.507 1.129 . . . . 0.0 111.005 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . 0.59 ' CB ' ' CZ2' ' A' ' 21' ' ' TRP . 0.0 OUTLIER -85.65 16.89 3.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 0.765 . . . . 0.0 111.011 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.46 1.1 . . . . 0.0 109.334 -179.999 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.303 -0.628 . . . . 0.0 109.303 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -54.25 -29.53 47.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 110.298 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -74.69 -11.22 60.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 109.269 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . 0.674 ' CG ' HG21 ' A' ' 44' ' ' VAL . 20.7 m-85 -122.58 17.25 10.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.145 . . . . 0.0 110.998 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . 0.516 ' CD2' ' HB3' ' A' ' 17' ' ' SER . 1.1 t80 -78.07 115.71 18.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.115 . . . . 0.0 110.993 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.402 ' O ' ' HB2' ' A' ' 11' ' ' CYS . 69.7 p -98.83 83.85 3.01 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.571 1.169 . . . . 0.0 110.362 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -67.89 -7.65 30.01 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.537 1.148 . . . . 0.0 110.019 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -72.32 -53.98 10.83 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 110.289 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.847 HG23 ' O ' ' A' ' 38' ' ' GLN . 0.1 OUTLIER -90.54 -27.83 18.91 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 110.339 -179.942 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.481 ' SG ' ' CB ' ' A' ' 20' ' ' ALA . 10.9 t -64.18 136.47 96.76 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.125 . . . . 0.0 108.274 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.406 ' HD2' ' SG ' ' A' ' 11' ' ' CYS . 18.3 Cg_endo -74.99 -3.93 14.66 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.546 1.814 . . . . 0.0 111.004 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.41 ' HB2' ' HB2' ' A' ' 20' ' ' ALA . 73.1 m-85 -118.67 163.84 16.24 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 111.034 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.417 ' HD3' ' N ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -155.12 25.19 0.42 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 109.325 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . 0.549 ' O ' ' CB ' ' A' ' 16' ' ' ASP . 13.0 m-20 -117.37 63.65 0.73 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 109.295 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . 0.549 ' CB ' ' O ' ' A' ' 15' ' ' ASN . 4.4 t0 85.43 133.93 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.258 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.516 ' HB3' ' CD2' ' A' ' 6' ' ' TYR . 68.6 p -63.88 -27.89 69.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 110.028 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 49.9 mt-30 -64.37 -17.79 64.06 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.537 1.148 . . . . 0.0 110.28 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 64.7 tp -75.76 -62.28 1.64 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.543 1.152 . . . . 0.0 109.348 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.481 ' CB ' ' SG ' ' A' ' 11' ' ' CYS . . . -61.6 -30.96 71.02 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.518 1.137 . . . . 0.0 109.278 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' TRP . . . . . 0.53 ' CE2' ' HB2' ' A' ' 25' ' ' SER . 6.5 t-105 -73.91 -38.98 64.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 107.978 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -66.11 -11.27 47.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 0.0 109.33 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.679 HG22 ' N ' ' A' ' 24' ' ' CYS . 0.8 OUTLIER -86.87 -73.62 0.46 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 110.401 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.679 ' N ' HG22 ' A' ' 23' ' ' THR . 0.0 OUTLIER -67.91 -60.03 2.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 108.282 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.53 ' HB2' ' CE2' ' A' ' 21' ' ' TRP . 0.0 OUTLIER -78.88 52.31 1.23 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.493 1.12 . . . . 0.0 109.995 -179.975 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.951 0 O-C-N 124.489 1.118 . . . . 0.0 111.045 179.992 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.454 -0.261 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.438 ' CB ' ' O ' ' A' ' 24' ' ' CYS . 10.4 p -78.78 137.59 37.81 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.112 . . . . 0.0 108.325 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 173.41 -175.07 46.22 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.515 1.134 . . . . 0.0 111.0 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.421 ' O ' ' SG ' ' A' ' 36' ' ' CYS . 65.3 m -84.9 -4.47 59.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 0.767 . . . . 0.0 110.402 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.433 ' O ' ' HB2' ' A' ' 38' ' ' GLN . 74.1 t -74.2 -44.19 49.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 109.287 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -63.15 -14.7 51.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.553 1.158 . . . . 0.0 108.298 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.549 ' SG ' ' N ' ' A' ' 37' ' ' GLY . 0.5 OUTLIER -54.77 -53.08 59.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 108.34 179.988 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.549 ' N ' ' SG ' ' A' ' 36' ' ' CYS . . . -113.79 41.8 2.11 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.492 1.12 . . . . 0.0 111.013 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.847 ' O ' HG23 ' A' ' 10' ' ' THR . 5.3 tp60 -119.98 -50.09 2.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 0.767 . . . . 0.0 110.311 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.401 ' SG ' ' HD2' ' A' ' 12' ' ' PRO . 87.8 m -111.78 -23.24 10.71 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.491 1.119 . . . . 0.0 108.279 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.425 ' O ' ' O ' ' A' ' 36' ' ' CYS . 0.7 OUTLIER -135.34 -176.17 4.18 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.132 . . . . 0.0 110.94 180.0 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.498 ' C ' ' H ' ' A' ' 45' ' ' SER . 0.9 OUTLIER -150.54 157.13 42.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 110.001 -179.972 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.746 ' CD2' ' HA ' ' A' ' 43' ' ' PRO . 0.2 OUTLIER -54.45 154.61 8.39 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.547 1.155 . . . . 0.0 111.005 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.746 ' HA ' ' CD2' ' A' ' 42' ' ' PHE . 18.4 Cg_endo -75.0 7.92 10.46 Favored 'Cis proline' 0 C--N 1.359 1.126 0 C-N-CA 121.032 -2.487 . . . . 0.0 110.955 0.046 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.674 HG21 ' CG ' ' A' ' 5' ' ' PHE . 2.1 t -70.75 -38.92 74.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 109.322 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.498 ' H ' ' C ' ' A' ' 41' ' ' SER . 0.4 OUTLIER -51.73 -25.42 7.39 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.48 1.112 . . . . 0.0 109.996 -179.974 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.569 ' HB2' ' CE1' ' A' ' 42' ' ' PHE . 1.9 tt0 -74.45 -30.77 62.02 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.514 1.134 . . . . 0.0 110.279 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -76.39 -38.66 55.38 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.538 1.149 . . . . 0.0 109.981 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . 0.657 ' O ' ' HB2' ' A' ' 52' ' ' ALA . 0.3 OUTLIER -53.92 -45.35 71.16 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 108.275 -179.971 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -76.08 -22.73 55.29 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.105 . . . . 0.0 109.307 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -76.22 -53.82 5.47 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.549 1.155 . . . . 0.0 111.003 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . 0.402 ' O ' ' HA ' ' A' ' 25' ' ' SER . 2.2 tpt -86.23 21.64 1.99 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 0.762 . . . . 0.0 111.018 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.657 ' HB2' ' O ' ' A' ' 48' ' ' CYS . . . . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.106 . . . . 0.0 109.312 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -54.33 -28.8 45.1 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.494 1.121 . . . . 0.0 110.297 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 61.8 m-20 -74.6 -11.17 60.13 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 109.358 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . 0.58 ' CG ' HG21 ' A' ' 44' ' ' VAL . 14.3 m-85 -123.25 16.95 9.86 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.48 1.113 . . . . 0.0 110.993 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . 0.527 ' CD2' ' HB3' ' A' ' 17' ' ' SER . 1.4 t80 -77.86 122.23 25.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 0.0 110.989 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 72.0 p -106.25 86.87 2.43 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.526 1.141 . . . . 0.0 110.418 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.26 -5.59 28.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.144 . . . . 0.0 110.017 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -74.13 -53.07 10.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 110.291 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.826 HG23 ' O ' ' A' ' 38' ' ' GLN . 0.2 OUTLIER -91.86 -27.53 17.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 0.0 110.371 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.471 ' SG ' ' CB ' ' A' ' 20' ' ' ALA . 18.3 t -63.92 136.55 96.78 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.133 . . . . 0.0 108.3 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.411 ' HD2' ' SG ' ' A' ' 11' ' ' CYS . 18.2 Cg_endo -75.03 -1.93 11.88 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.523 1.802 . . . . 0.0 110.987 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.439 ' HB2' ' HB2' ' A' ' 20' ' ' ALA . 98.2 m-85 -117.59 163.83 15.86 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.468 1.105 . . . . 0.0 110.964 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.431 ' HD3' ' N ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -155.67 30.23 0.37 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 109.347 179.969 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . 0.524 ' O ' ' CB ' ' A' ' 16' ' ' ASP . 18.4 m-20 -128.76 68.88 1.38 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.555 1.16 . . . . 0.0 109.276 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . 0.524 ' CB ' ' O ' ' A' ' 15' ' ' ASN . 3.7 t0 83.88 132.63 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.482 1.113 . . . . 0.0 109.296 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.527 ' HB3' ' CD2' ' A' ' 6' ' ' TYR . 42.9 p -65.28 -22.91 66.91 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 109.997 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.509 ' O ' ' CB ' ' A' ' 22' ' ' ASP . 40.5 mt-30 -68.6 -23.15 64.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.548 1.155 . . . . 0.0 110.293 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 51.9 tp -69.9 -55.22 10.28 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 109.309 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.471 ' CB ' ' SG ' ' A' ' 11' ' ' CYS . . . -68.92 -31.34 70.16 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.534 1.146 . . . . 0.0 109.287 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' TRP . . . . . 0.442 ' CD2' ' OG ' ' A' ' 25' ' ' SER . 7.3 t-105 -73.52 -45.74 51.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 0.0 108.03 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.509 ' CB ' ' O ' ' A' ' 18' ' ' GLN . 29.2 t0 -67.55 -9.9 46.85 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 109.346 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.466 ' CG2' ' OD1' ' A' ' 30' ' ' ASN . 0.8 OUTLIER -81.96 -54.4 5.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 110.377 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.406 ' O ' ' CB ' ' A' ' 31' ' ' CYS . 0.0 OUTLIER -91.23 -59.03 2.26 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.13 . . . . 0.0 108.332 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.442 ' OG ' ' CD2' ' A' ' 21' ' ' TRP . 0.0 OUTLIER -75.32 54.57 0.73 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 109.992 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 O-C-N 124.468 1.105 . . . . 0.0 111.017 179.973 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . 0.466 ' OD1' ' CG2' ' A' ' 23' ' ' THR . 2.9 p-10 . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.406 ' CB ' ' O ' ' A' ' 24' ' ' CYS . 15.5 p -69.61 129.9 40.92 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 108.305 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 178.23 -171.35 43.73 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.492 1.12 . . . . 0.0 110.989 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.442 ' HA ' ' SG ' ' A' ' 36' ' ' CYS . 87.2 m -85.25 -5.87 59.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 0.786 . . . . 0.0 110.408 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.487 ' O ' ' HB2' ' A' ' 38' ' ' GLN . 77.7 t -83.26 -34.73 11.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 109.286 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -62.82 -17.22 60.95 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.13 . . . . 0.0 108.265 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.771 ' SG ' ' HB2' ' A' ' 49' ' ' ALA . 72.2 m -54.72 -77.38 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 108.321 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -87.58 48.14 3.7 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.5 1.125 . . . . 0.0 110.992 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.826 ' O ' HG23 ' A' ' 10' ' ' THR . 4.0 tt0 -120.89 -56.08 1.96 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 0.771 . . . . 0.0 110.322 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 70.8 m -111.28 -17.98 13.04 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 0.0 108.292 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.411 ' CZ ' ' HB2' ' A' ' 21' ' ' TRP . 0.8 OUTLIER -135.25 175.83 9.23 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.534 1.147 . . . . 0.0 111.039 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.495 ' C ' ' H ' ' A' ' 45' ' ' SER . 3.1 m -141.33 158.48 43.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.544 1.153 . . . . 0.0 109.99 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.713 ' CD2' ' HA ' ' A' ' 43' ' ' PRO . 0.2 OUTLIER -55.36 154.79 10.87 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 111.021 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.713 ' HA ' ' CD2' ' A' ' 42' ' ' PHE . 18.2 Cg_endo -75.01 7.62 10.74 Favored 'Cis proline' 0 C--N 1.36 1.136 0 C-N-CA 120.989 -2.504 . . . . 0.0 110.981 0.023 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.58 HG21 ' CG ' ' A' ' 5' ' ' PHE . 2.0 t -70.65 -37.9 71.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.314 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.548 ' HB3' ' N ' ' A' ' 42' ' ' PHE . 0.2 OUTLIER -52.48 -18.24 1.59 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.138 . . . . 0.0 109.974 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.592 ' HB2' ' CE1' ' A' ' 42' ' ' PHE . 0.8 OUTLIER -87.54 -25.1 23.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.097 . . . . 0.0 110.28 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . 0.449 ' N ' ' O ' ' A' ' 44' ' ' VAL . 0.8 OUTLIER -75.31 -38.36 60.31 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.124 . . . . 0.0 110.07 179.969 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -53.53 -66.41 0.4 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.474 1.109 . . . . 0.0 108.298 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.771 ' HB2' ' SG ' ' A' ' 36' ' ' CYS . . . -57.9 -18.21 21.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 109.295 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -78.58 -55.05 4.04 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.564 1.165 . . . . 0.0 111.037 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . 0.442 ' HB3' ' CB ' ' A' ' 25' ' ' SER . 8.5 tpt -86.45 22.45 1.85 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.477 0.751 . . . . 0.0 111.037 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.123 . . . . 0.0 109.274 179.999 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -53.75 -28.75 36.28 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.462 1.101 . . . . 0.0 110.29 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 27.3 m-20 -74.4 -11.56 60.28 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 109.323 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . 0.455 ' CG ' HG21 ' A' ' 44' ' ' VAL . 13.6 m-85 -120.82 18.06 11.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 110.998 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . 0.559 ' CG ' ' CB ' ' A' ' 17' ' ' SER . 1.8 t80 -78.02 122.14 25.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.101 . . . . 0.0 110.998 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.414 ' O ' ' OG1' ' A' ' 7' ' ' THR . 9.2 p -109.0 89.13 2.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 110.404 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 36.0 t -75.93 -0.13 20.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 109.976 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -77.37 -41.62 39.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 110.307 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.872 HG23 ' O ' ' A' ' 38' ' ' GLN . 0.8 OUTLIER -107.38 -24.83 11.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 110.362 -179.953 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.417 ' SG ' ' CB ' ' A' ' 20' ' ' ALA . 33.9 t -64.39 136.3 96.7 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 0.0 108.326 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.408 ' HD2' ' SG ' ' A' ' 11' ' ' CYS . 18.4 Cg_endo -74.93 -1.99 11.93 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.478 1.778 . . . . 0.0 111.013 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.48 ' HB2' ' HB2' ' A' ' 20' ' ' ALA . 98.4 m-85 -123.08 148.92 45.09 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.54 1.15 . . . . 0.0 111.015 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.05 29.97 2.77 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.141 . . . . 0.0 109.329 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . 0.432 ' O ' ' CB ' ' A' ' 16' ' ' ASP . 57.0 m-20 -125.51 74.16 1.38 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 109.278 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . 0.432 ' CB ' ' O ' ' A' ' 15' ' ' ASN . 0.2 OUTLIER 76.95 126.99 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 109.304 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.559 ' CB ' ' CG ' ' A' ' 6' ' ' TYR . 0.4 OUTLIER -61.94 -21.48 64.82 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.434 1.084 . . . . 0.0 109.986 -180.0 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 22.3 tt0 -70.65 -25.28 62.94 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.462 1.101 . . . . 0.0 110.262 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.431 ' CD2' ' HB2' ' A' ' 15' ' ' ASN . 40.1 tp -66.69 -55.42 15.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 0.0 109.295 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.48 ' HB2' ' HB2' ' A' ' 13' ' ' TYR . . . -63.48 -27.87 69.57 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.486 1.116 . . . . 0.0 109.333 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' TRP . . . . . 0.562 ' HB2' ' CZ ' ' A' ' 40' ' ' PHE . 4.5 t-105 -76.3 -42.14 46.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.576 1.172 . . . . 0.0 107.982 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -64.86 -15.31 61.73 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.443 1.09 . . . . 0.0 109.328 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -83.22 -50.9 7.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 110.339 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.435 ' SG ' ' N ' ' A' ' 25' ' ' SER . 0.0 OUTLIER -87.82 -71.63 0.56 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 108.292 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.529 ' OG ' ' CD2' ' A' ' 21' ' ' TRP . 0.0 OUTLIER -78.49 52.6 1.18 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 110.032 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.037 0 O-C-N 124.449 1.093 . . . . 0.0 110.995 -179.992 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . 0.41 ' OD1' ' C ' ' A' ' 30' ' ' ASN . 43.9 p30 . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.276 -0.639 . . . . 0.0 109.276 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -57.79 131.42 50.28 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 108.276 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -175.85 -176.62 44.22 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.56 1.162 . . . . 0.0 110.965 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.448 ' HA ' ' SG ' ' A' ' 36' ' ' CYS . 94.7 m -85.41 -6.57 59.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 0.79 . . . . 0.0 110.397 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.477 ' O ' ' HB2' ' A' ' 38' ' ' GLN . 89.0 t -80.87 -34.89 14.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 0.0 109.291 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -62.6 -16.72 57.91 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 0.0 108.328 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.737 ' SG ' ' HB2' ' A' ' 49' ' ' ALA . 70.6 m -55.08 -77.39 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.498 1.124 . . . . 0.0 108.333 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -87.7 49.21 3.82 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.501 1.126 . . . . 0.0 111.042 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.872 ' O ' HG23 ' A' ' 10' ' ' THR . 4.7 tt0 -120.96 -58.58 1.8 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.445 0.732 . . . . 0.0 110.315 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 62.1 m -112.43 -14.25 13.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 108.286 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.562 ' CZ ' ' HB2' ' A' ' 21' ' ' TRP . 1.1 m-85 -135.26 173.85 11.26 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 110.962 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.501 ' O ' ' HB ' ' A' ' 44' ' ' VAL . 2.3 m -141.68 157.28 45.26 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.477 1.11 . . . . 0.0 109.947 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.731 ' CD2' ' HA ' ' A' ' 43' ' ' PRO . 0.2 OUTLIER -54.51 154.36 8.93 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.108 . . . . 0.0 110.975 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.731 ' HA ' ' CD2' ' A' ' 42' ' ' PHE . 18.3 Cg_endo -74.95 7.46 10.75 Favored 'Cis proline' 0 C--N 1.36 1.178 0 C-N-CA 120.977 -2.51 . . . . 0.0 110.989 -0.06 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.501 ' HB ' ' O ' ' A' ' 41' ' ' SER . 2.1 t -70.09 -37.88 73.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 109.325 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.528 ' HB3' ' N ' ' A' ' 42' ' ' PHE . 0.2 OUTLIER -52.16 -17.88 1.27 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.559 1.162 . . . . 0.0 110.005 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.603 ' HB2' ' CE1' ' A' ' 42' ' ' PHE . 27.8 tp60 -87.29 -29.9 21.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.449 1.093 . . . . 0.0 110.328 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . 0.413 ' N ' ' O ' ' A' ' 44' ' ' VAL . 2.9 t -70.62 -37.68 73.86 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.568 1.167 . . . . 0.0 109.97 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . 0.401 ' SG ' ' N ' ' A' ' 36' ' ' CYS . 0.5 OUTLIER -54.05 -67.56 0.25 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.442 1.089 . . . . 0.0 108.261 -179.964 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.737 ' HB2' ' SG ' ' A' ' 36' ' ' CYS . . . -57.45 -17.88 15.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 109.331 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -79.19 -55.12 3.83 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.509 1.13 . . . . 0.0 111.029 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . 0.431 ' HB3' ' CB ' ' A' ' 25' ' ' SER . 0.0 OUTLIER -85.46 15.7 4.31 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 0.762 . . . . 0.0 110.999 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.297 -179.962 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -54.2 -29.88 47.71 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.531 1.145 . . . . 0.0 110.296 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -74.42 -14.69 60.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 109.309 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . 0.636 ' CG ' HG21 ' A' ' 44' ' ' VAL . 17.1 m-85 -118.69 18.18 13.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 111.014 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . 0.542 ' CG ' ' HB3' ' A' ' 17' ' ' SER . 4.7 t80 -78.09 126.25 30.54 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 111.021 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.414 ' O ' ' HB2' ' A' ' 11' ' ' CYS . 56.4 p -109.08 84.02 1.85 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.111 . . . . 0.0 110.392 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 22.9 t -70.37 -4.44 22.32 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.462 1.101 . . . . 0.0 110.004 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.77 -50.29 17.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.109 . . . . 0.0 110.306 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.912 HG23 ' O ' ' A' ' 38' ' ' GLN . 0.0 OUTLIER -96.08 -25.62 15.82 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 0.0 110.415 179.974 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.421 ' SG ' ' CB ' ' A' ' 20' ' ' ALA . 16.8 t -63.75 136.28 96.65 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.532 1.145 . . . . 0.0 108.319 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.403 ' HD2' ' SG ' ' A' ' 11' ' ' CYS . 18.2 Cg_endo -74.97 -6.4 18.03 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.497 1.788 . . . . 0.0 111.009 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.457 ' HB3' HD23 ' A' ' 19' ' ' LEU . 68.9 m-85 -118.69 146.7 44.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.138 . . . . 0.0 111.011 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.54 35.07 2.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.105 . . . . 0.0 109.298 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . 0.614 ' HB2' HD22 ' A' ' 19' ' ' LEU . 13.8 m-20 -126.56 63.46 1.28 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.444 1.09 . . . . 0.0 109.286 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . 0.556 ' CB ' ' O ' ' A' ' 15' ' ' ASN . 3.5 t70 86.06 145.25 0.06 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.132 . . . . 0.0 109.28 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.542 ' HB3' ' CG ' ' A' ' 6' ' ' TYR . 85.1 p -73.15 -31.83 64.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.135 . . . . 0.0 109.981 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.517 ' O ' ' CB ' ' A' ' 22' ' ' ASP . 80.9 mt-30 -63.8 -16.94 62.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 110.28 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.614 HD22 ' HB2' ' A' ' 15' ' ' ASN . 24.9 tp -73.7 -59.69 2.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.314 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.449 ' HB2' ' HB2' ' A' ' 13' ' ' TYR . . . -66.9 -26.58 66.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 109.288 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' TRP . . . . . 0.59 ' CE3' ' OG ' ' A' ' 25' ' ' SER . 5.0 t-105 -78.19 -41.96 32.94 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.122 . . . . 0.0 108.018 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.517 ' CB ' ' O ' ' A' ' 18' ' ' GLN . 3.1 t70 -64.47 -13.2 50.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.541 1.151 . . . . 0.0 109.314 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -98.85 -59.92 1.64 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 110.376 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.533 ' SG ' ' N ' ' A' ' 25' ' ' SER . 0.4 OUTLIER -66.59 -54.1 27.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 108.309 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.59 ' OG ' ' CE3' ' A' ' 21' ' ' TRP . 0.0 OUTLIER -93.6 54.5 2.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.135 . . . . 0.0 110.059 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.017 0 O-C-N 124.5 1.125 . . . . 0.0 110.99 -179.932 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.33 -0.618 . . . . 0.0 109.33 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.623 ' HB2' ' HB1' ' A' ' 52' ' ' ALA . 21.5 p -85.1 150.08 25.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 108.375 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 162.94 179.88 37.76 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.544 1.153 . . . . 0.0 111.005 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.401 ' O ' ' SG ' ' A' ' 36' ' ' CYS . 98.9 m -85.01 -5.17 59.36 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.554 0.796 . . . . 0.0 110.43 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.439 ' O ' ' HB2' ' A' ' 38' ' ' GLN . 91.3 t -74.68 -41.1 47.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 109.272 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -63.15 -14.98 55.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 108.292 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.537 ' SG ' ' N ' ' A' ' 37' ' ' GLY . 0.7 OUTLIER -53.64 -52.75 58.9 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.114 . . . . 0.0 108.319 179.974 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.537 ' N ' ' SG ' ' A' ' 36' ' ' CYS . . . -114.88 41.39 2.18 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.505 1.128 . . . . 0.0 110.986 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.912 ' O ' HG23 ' A' ' 10' ' ' THR . 2.9 tp60 -120.29 -49.58 2.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.459 0.741 . . . . 0.0 110.327 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 68.9 m -112.46 -23.06 10.51 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 0.0 108.314 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.569 ' CZ ' ' HB2' ' A' ' 21' ' ' TRP . 0.8 OUTLIER -135.44 -175.12 3.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 0.0 110.991 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.499 ' O ' ' HB ' ' A' ' 44' ' ' VAL . 0.3 OUTLIER -151.48 157.08 41.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 109.992 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.699 ' CG ' ' HA ' ' A' ' 43' ' ' PRO . 0.2 OUTLIER -54.91 155.1 8.65 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.148 . . . . 0.0 110.97 -179.966 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.699 ' HA ' ' CG ' ' A' ' 42' ' ' PHE . 18.2 Cg_endo -74.96 8.28 10.1 Favored 'Cis proline' 0 C--N 1.361 1.193 0 C-N-CA 121.036 -2.485 . . . . 0.0 111.023 -0.057 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.636 HG21 ' CG ' ' A' ' 5' ' ' PHE . 2.1 t -70.97 -38.43 72.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.12 . . . . 0.0 109.319 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.54 ' HB3' ' N ' ' A' ' 42' ' ' PHE . 0.1 OUTLIER -51.18 -21.15 1.85 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.115 . . . . 0.0 110.001 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.579 ' HB2' ' CE1' ' A' ' 42' ' ' PHE . 1.1 tt0 -80.8 -29.98 35.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 110.301 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . 0.436 ' N ' ' O ' ' A' ' 44' ' ' VAL . 0.5 OUTLIER -75.81 -36.34 59.76 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.494 1.122 . . . . 0.0 110.011 179.985 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -54.92 -61.0 2.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 108.259 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.88 -12.95 58.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 109.282 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -83.01 -53.84 3.37 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.467 1.104 . . . . 0.0 111.021 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 8.1 tpt -86.28 20.35 2.41 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.521 0.777 . . . . 0.0 111.027 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.623 ' HB1' ' HB2' ' A' ' 31' ' ' CYS . . . . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 109.321 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -53.75 -29.69 40.91 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.521 1.138 . . . . 0.0 110.307 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -74.61 -13.63 60.67 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.506 1.128 . . . . 0.0 109.324 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . 0.669 ' CG ' HG21 ' A' ' 44' ' ' VAL . 14.7 m-85 -119.93 20.18 12.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 110.968 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . 0.53 ' CG ' ' HB3' ' A' ' 17' ' ' SER . 2.3 t80 -78.36 121.91 25.09 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.499 1.124 . . . . 0.0 110.987 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.414 ' O ' ' HB2' ' A' ' 11' ' ' CYS . 44.6 p -105.88 85.32 2.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 110.461 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.3 t -72.09 -2.68 19.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 109.944 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -75.8 -48.74 20.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.461 1.101 . . . . 0.0 110.317 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.909 HG23 ' O ' ' A' ' 38' ' ' GLN . 0.0 OUTLIER -98.81 -25.19 14.72 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.128 . . . . 0.0 110.395 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.454 ' SG ' ' HD2' ' A' ' 12' ' ' PRO . 20.2 t -63.72 137.43 97.09 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 108.299 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.478 ' HG2' ' CE2' ' A' ' 13' ' ' TYR . 18.2 Cg_endo -75.01 -3.82 14.5 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.478 1.778 . . . . 0.0 110.966 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.612 ' HB3' HD12 ' A' ' 19' ' ' LEU . 66.9 m-85 -127.72 138.73 52.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 110.966 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.83 29.99 4.38 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.514 1.134 . . . . 0.0 109.314 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -95.88 -42.27 8.4 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.45 1.094 . . . . 0.0 109.331 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -165.24 149.26 8.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.444 1.09 . . . . 0.0 109.326 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.53 ' HB3' ' CG ' ' A' ' 6' ' ' TYR . 15.8 p -69.33 -36.91 77.42 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.483 1.114 . . . . 0.0 109.998 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 3.6 mt-30 -71.52 -23.4 61.77 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 110.296 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.776 HD13 ' N ' ' A' ' 20' ' ' ALA . 0.4 OUTLIER -64.0 -60.34 3.37 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.457 1.098 . . . . 0.0 109.295 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.776 ' N ' HD13 ' A' ' 19' ' ' LEU . . . -59.74 -34.53 73.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.551 1.157 . . . . 0.0 109.339 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' TRP . . . . . 0.582 ' HB2' ' CZ ' ' A' ' 40' ' ' PHE . 1.8 t-105 -68.97 -40.46 78.83 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 107.938 -1.134 . . . . 0.0 107.938 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -64.3 -13.42 49.83 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.139 . . . . 0.0 109.277 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.409 HG23 ' OD1' ' A' ' 30' ' ' ASN . 0.7 OUTLIER -87.27 -55.09 3.96 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 110.416 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.455 ' SG ' ' N ' ' A' ' 25' ' ' SER . 0.0 OUTLIER -81.77 -68.8 0.66 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 108.318 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.529 ' HB2' ' CE2' ' A' ' 21' ' ' TRP . 0.0 OUTLIER -80.83 51.16 1.47 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 109.988 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.025 0 O-C-N 124.545 1.153 . . . . 0.0 110.961 -179.971 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . 0.409 ' OD1' HG23 ' A' ' 23' ' ' THR . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.413 ' CB ' ' O ' ' A' ' 24' ' ' CYS . 1.5 p -69.26 150.81 47.0 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.502 1.126 . . . . 0.0 108.317 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 152.28 176.33 24.82 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.546 1.154 . . . . 0.0 110.996 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.402 ' O ' ' SG ' ' A' ' 36' ' ' CYS . 89.5 m -72.96 -3.45 26.03 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.494 0.761 . . . . 0.0 110.351 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.433 ' O ' ' HB2' ' A' ' 38' ' ' GLN . 60.7 t -70.09 -53.0 25.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.118 . . . . 0.0 109.29 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -62.04 -16.67 53.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 108.286 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.478 ' SG ' ' N ' ' A' ' 37' ' ' GLY . 0.3 OUTLIER -55.37 -51.27 67.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.558 1.161 . . . . 0.0 108.333 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.478 ' N ' ' SG ' ' A' ' 36' ' ' CYS . . . -116.0 42.55 1.86 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.496 1.122 . . . . 0.0 111.004 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.909 ' O ' HG23 ' A' ' 10' ' ' THR . 10.8 tt0 -120.91 -53.25 2.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 0.751 . . . . 0.0 110.276 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.4 ' HA ' ' HB2' ' A' ' 11' ' ' CYS . 85.3 m -111.25 -18.39 12.96 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.54 1.15 . . . . 0.0 108.273 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.582 ' CZ ' ' HB2' ' A' ' 21' ' ' TRP . 1.5 m-85 -135.87 177.53 7.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.142 . . . . 0.0 110.974 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.527 ' O ' ' HB ' ' A' ' 44' ' ' VAL . 1.0 OUTLIER -148.72 156.33 42.23 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.475 1.11 . . . . 0.0 109.961 -179.952 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.689 ' CG ' ' HA ' ' A' ' 43' ' ' PRO . 0.2 OUTLIER -53.12 154.38 5.53 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.555 1.159 . . . . 0.0 111.009 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.689 ' HA ' ' CG ' ' A' ' 42' ' ' PHE . 18.3 Cg_endo -75.0 9.95 8.97 Favored 'Cis proline' 0 C--N 1.36 1.182 0 C-N-CA 120.983 -2.507 . . . . 0.0 111.021 -0.027 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.669 HG21 ' CG ' ' A' ' 5' ' ' PHE . 2.4 t -70.94 -39.79 75.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.138 . . . . 0.0 109.255 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.49 ' HB3' ' N ' ' A' ' 42' ' ' PHE . 0.1 OUTLIER -51.6 -19.8 1.69 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 0.0 110.035 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.576 ' HB2' ' CE1' ' A' ' 42' ' ' PHE . 0.8 OUTLIER -78.22 -31.51 49.38 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 110.31 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 3.6 m -76.64 -42.65 41.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.452 1.095 . . . . 0.0 109.975 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . 0.509 ' O ' ' HB2' ' A' ' 52' ' ' ALA . 1.2 t -54.5 -59.3 4.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 108.313 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.66 -13.49 59.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.319 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -84.66 -53.35 3.24 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.497 1.123 . . . . 0.0 111.006 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 4.0 tpp -85.63 15.41 4.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 0.765 . . . . 0.0 110.998 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.509 ' HB2' ' O ' ' A' ' 48' ' ' CYS . . . . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.452 1.095 . . . . 0.0 109.306 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.95 -30.65 47.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 110.296 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -74.24 -4.58 36.91 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.139 . . . . 0.0 109.285 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . 0.479 ' CG ' HG21 ' A' ' 44' ' ' VAL . 14.5 m-85 -127.88 14.09 6.87 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 0.0 111.001 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . 0.55 ' CG ' ' HB3' ' A' ' 17' ' ' SER . 4.7 t80 -78.63 129.4 34.71 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.514 1.134 . . . . 0.0 111.03 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 22.1 p -116.19 91.67 3.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 110.417 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -73.81 -2.24 22.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 109.983 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -76.47 -42.81 42.38 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 110.279 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.867 HG23 ' O ' ' A' ' 38' ' ' GLN . 10.1 t -103.04 -26.44 13.06 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 110.397 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.403 ' SG ' ' HD2' ' A' ' 12' ' ' PRO . 16.1 t -63.81 136.18 96.61 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 108.283 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.403 ' HD2' ' SG ' ' A' ' 11' ' ' CYS . 18.3 Cg_endo -75.0 -21.19 16.11 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.524 1.802 . . . . 0.0 111.041 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.535 ' HB2' ' HB2' ' A' ' 20' ' ' ALA . 85.2 m-85 -103.54 178.53 4.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.141 . . . . 0.0 110.996 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.498 ' O ' HD23 ' A' ' 19' ' ' LEU . 0.7 OUTLIER -155.39 -155.26 0.55 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 109.265 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . 0.452 ' N ' ' HD2' ' A' ' 14' ' ' LYS . 1.4 t30 77.03 -63.14 0.38 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.547 1.154 . . . . 0.0 109.299 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -149.31 163.2 38.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 109.335 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.55 ' HB3' ' CG ' ' A' ' 6' ' ' TYR . 77.4 p -81.12 -29.2 34.87 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.111 . . . . 0.0 109.97 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 28.1 tt0 -66.01 -16.92 64.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.415 1.072 . . . . 0.0 110.333 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.498 HD23 ' O ' ' A' ' 14' ' ' LYS . 26.2 tp -72.32 -64.68 0.9 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.434 1.083 . . . . 0.0 109.322 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.535 ' HB2' ' HB2' ' A' ' 13' ' ' TYR . . . -59.23 -27.26 65.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.539 1.15 . . . . 0.0 109.31 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' TRP . . . . . 0.587 ' CZ2' ' CB ' ' A' ' 51' ' ' MET . 10.2 t-105 -71.21 -40.54 71.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.13 . . . . 0.0 107.989 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -68.76 -17.04 63.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 109.297 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -75.05 -55.73 5.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 110.416 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.426 ' CB ' ' HA ' ' A' ' 31' ' ' CYS . 0.0 OUTLIER -91.09 -66.99 0.88 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 108.322 179.958 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.533 ' HB2' ' CE2' ' A' ' 21' ' ' TRP . 0.1 OUTLIER -76.98 53.43 0.94 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.127 . . . . 0.0 110.032 179.975 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.027 0 O-C-N 124.514 1.134 . . . . 0.0 110.975 -179.939 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 30.8 p30 . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.426 ' HA ' ' CB ' ' A' ' 24' ' ' CYS . 0.6 OUTLIER -55.63 146.87 19.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.148 . . . . 0.0 108.268 -179.951 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 164.49 -176.41 40.38 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.457 1.098 . . . . 0.0 110.993 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.427 ' HA ' ' SG ' ' A' ' 36' ' ' CYS . 92.4 m -84.93 -6.25 59.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 0.765 . . . . 0.0 110.377 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.549 ' CG1' ' NE2' ' A' ' 38' ' ' GLN . 25.2 t -83.68 -33.34 9.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.507 1.13 . . . . 0.0 109.304 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -62.39 -19.94 63.93 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.542 1.151 . . . . 0.0 108.311 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.71 ' SG ' ' HB2' ' A' ' 49' ' ' ALA . 59.2 m -54.23 -76.83 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.558 1.161 . . . . 0.0 108.327 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -85.24 45.99 3.6 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.481 1.113 . . . . 0.0 111.061 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.867 ' O ' HG23 ' A' ' 10' ' ' THR . 0.4 OUTLIER -120.31 -35.73 3.37 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.52 0.777 . . . . 0.0 110.25 -179.945 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 70.8 m -130.01 -43.95 1.19 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.103 . . . . 0.0 108.271 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.526 ' CZ ' ' HB2' ' A' ' 21' ' ' TRP . 0.4 OUTLIER -110.06 175.9 5.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.15 . . . . 0.0 111.005 -179.961 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.519 ' C ' ' H ' ' A' ' 45' ' ' SER . 0.7 OUTLIER -139.35 159.3 42.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 110.025 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.739 ' CD2' ' HA ' ' A' ' 43' ' ' PRO . 0.2 OUTLIER -54.13 154.22 8.19 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.138 . . . . 0.0 111.013 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.739 ' HA ' ' CD2' ' A' ' 42' ' ' PHE . 18.2 Cg_endo -75.03 6.37 11.81 Favored 'Cis proline' 0 C--N 1.361 1.187 0 C-N-CA 120.924 -2.532 . . . . 0.0 111.023 -0.029 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.479 HG21 ' CG ' ' A' ' 5' ' ' PHE . 2.2 t -70.12 -37.9 73.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.553 1.158 . . . . 0.0 109.286 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.519 ' H ' ' C ' ' A' ' 41' ' ' SER . 0.9 OUTLIER -52.61 -19.0 2.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 109.974 -179.959 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.601 ' HB2' ' CE1' ' A' ' 42' ' ' PHE . 0.5 OUTLIER -87.21 -24.05 24.56 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 0.0 110.287 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . 0.452 ' N ' ' O ' ' A' ' 44' ' ' VAL . 8.7 m -75.52 -38.02 59.7 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.104 . . . . 0.0 110.036 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . 0.435 ' SG ' ' N ' ' A' ' 36' ' ' CYS . 0.1 OUTLIER -53.6 -63.54 1.12 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.45 1.094 . . . . 0.0 108.288 179.973 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.71 ' HB2' ' SG ' ' A' ' 36' ' ' CYS . . . -60.53 -15.15 24.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.562 1.163 . . . . 0.0 109.28 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -82.51 -53.48 3.59 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.498 1.124 . . . . 0.0 110.957 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . 0.587 ' CB ' ' CZ2' ' A' ' 21' ' ' TRP . 1.7 tpt -85.3 13.19 6.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 0.762 . . . . 0.0 110.989 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 109.243 -179.951 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 1.5 pt . . . . . 0 N--CA 1.452 -0.34 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.99 -27.03 28.99 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.141 . . . . 0.0 110.29 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -74.38 -10.11 59.26 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.47 1.107 . . . . 0.0 109.27 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . 0.492 ' CG ' HG21 ' A' ' 44' ' ' VAL . 20.7 m-85 -122.14 14.82 10.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 110.996 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . 0.565 ' CG ' ' HB2' ' A' ' 17' ' ' SER . 3.8 t80 -77.74 122.24 25.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 111.05 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 8.6 p -107.87 91.24 3.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 110.403 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -72.78 -3.09 23.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 110.0 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -76.34 -47.73 22.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 110.303 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.888 HG23 ' O ' ' A' ' 38' ' ' GLN . 0.5 OUTLIER -96.8 -25.41 15.5 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.519 1.137 . . . . 0.0 110.422 179.967 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.435 ' SG ' ' HD2' ' A' ' 12' ' ' PRO . 22.3 t -64.24 136.99 96.98 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 108.287 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.435 ' HD2' ' SG ' ' A' ' 11' ' ' CYS . 18.2 Cg_endo -75.05 -23.97 13.2 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.491 1.785 . . . . 0.0 110.994 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 64.5 m-85 -109.72 177.1 4.83 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.518 1.136 . . . . 0.0 111.009 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.435 ' HG2' ' N ' ' A' ' 15' ' ' ASN . 0.0 OUTLIER -152.05 -142.95 0.13 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.567 1.167 . . . . 0.0 109.303 -179.998 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . 0.435 ' N ' ' HG2' ' A' ' 14' ' ' LYS . 1.0 OUTLIER 73.18 -63.88 0.42 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.493 1.121 . . . . 0.0 109.303 179.965 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -149.26 156.34 41.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 109.277 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.565 ' HB2' ' CG ' ' A' ' 6' ' ' TYR . 11.4 t -75.61 -30.77 59.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.435 1.085 . . . . 0.0 109.949 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -64.64 -16.92 63.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 110.334 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 36.7 tp -73.14 -65.9 0.75 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.471 1.107 . . . . 0.0 109.3 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -59.25 -24.62 63.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.453 1.096 . . . . 0.0 109.264 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' TRP . . . . . 0.509 ' CD2' ' OG ' ' A' ' 25' ' ' SER . 7.9 t-105 -75.29 -50.03 17.33 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.504 1.127 . . . . 0.0 108.022 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.429 ' OD1' ' O ' ' A' ' 22' ' ' ASP . 46.8 t0 -63.63 -12.91 37.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 109.29 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -78.15 -54.87 5.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 110.417 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -85.36 -58.3 2.73 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.484 1.115 . . . . 0.0 108.336 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.509 ' OG ' ' CD2' ' A' ' 21' ' ' TRP . 76.8 p -76.24 51.89 0.72 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.996 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.03 0 O-C-N 124.555 1.16 . . . . 0.0 110.985 179.993 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 2.1 p30 . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -54.81 150.49 9.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.548 1.155 . . . . 0.0 108.284 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 156.13 -170.51 33.83 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.502 1.126 . . . . 0.0 111.023 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.441 ' HA ' ' SG ' ' A' ' 36' ' ' CYS . 91.4 m -85.38 -6.3 59.24 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 0.788 . . . . 0.0 110.373 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.496 ' O ' ' HB2' ' A' ' 38' ' ' GLN . 81.6 t -82.04 -34.05 12.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.545 1.153 . . . . 0.0 109.27 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -63.48 -21.36 66.27 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.454 1.096 . . . . 0.0 108.337 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.828 ' SG ' ' HB2' ' A' ' 49' ' ' ALA . 64.4 m -54.51 -78.46 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.476 1.11 . . . . 0.0 108.27 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -85.77 49.62 4.18 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.518 1.136 . . . . 0.0 110.986 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.888 ' O ' HG23 ' A' ' 10' ' ' THR . 0.8 OUTLIER -120.02 -59.74 1.76 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 0.741 . . . . 0.0 110.262 179.979 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 62.7 m -112.54 -13.99 13.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 108.32 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.401 ' HA ' ' O ' ' A' ' 5' ' ' PHE . 0.8 OUTLIER -134.75 174.48 10.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.125 . . . . 0.0 111.026 179.975 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.498 ' O ' ' HB ' ' A' ' 44' ' ' VAL . 3.1 m -142.53 158.03 44.11 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.552 1.158 . . . . 0.0 110.019 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.748 ' CD2' ' HA ' ' A' ' 43' ' ' PRO . 0.2 OUTLIER -54.52 154.6 8.56 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.147 . . . . 0.0 111.048 179.956 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.748 ' HA ' ' CD2' ' A' ' 42' ' ' PHE . 18.1 Cg_endo -75.05 6.88 11.47 Favored 'Cis proline' 0 C--N 1.359 1.127 0 C-N-CA 121.007 -2.497 . . . . 0.0 110.953 0.055 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.498 ' HB ' ' O ' ' A' ' 41' ' ' SER . 2.2 t -69.95 -37.88 73.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.434 1.084 . . . . 0.0 109.272 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.542 ' HB3' ' N ' ' A' ' 42' ' ' PHE . 0.2 OUTLIER -51.89 -18.07 1.19 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.11 . . . . 0.0 110.001 -179.984 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.604 ' HB2' ' CE1' ' A' ' 42' ' ' PHE . 49.2 tp60 -87.28 -29.41 21.66 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.464 1.102 . . . . 0.0 110.293 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . 0.425 ' N ' ' O ' ' A' ' 44' ' ' VAL . 4.2 t -70.81 -39.0 73.33 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.476 1.11 . . . . 0.0 109.976 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . 0.418 ' SG ' ' N ' ' A' ' 36' ' ' CYS . 0.1 OUTLIER -53.62 -69.42 0.12 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 108.286 179.979 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.828 ' HB2' ' SG ' ' A' ' 36' ' ' CYS . . . -58.06 -17.64 19.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 109.284 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -76.69 -63.27 2.36 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.449 1.093 . . . . 0.0 110.995 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . 0.467 ' O ' ' HG3' ' A' ' 51' ' ' MET . 29.0 tpp -74.52 -2.57 26.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 0.763 . . . . 0.0 110.938 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.416 ' HB2' ' O ' ' A' ' 48' ' ' CYS . . . . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.47 1.106 . . . . 0.0 109.29 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.452 -0.334 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -55.15 -29.41 57.7 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 110.311 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -74.58 -3.52 31.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 109.333 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 11.6 m-85 -128.99 19.3 6.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 111.055 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . 0.508 ' CG ' ' HB3' ' A' ' 17' ' ' SER . 3.0 t80 -78.31 116.32 18.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.099 . . . . 0.0 111.033 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.404 ' O ' ' HB2' ' A' ' 11' ' ' CYS . 7.7 p -102.83 90.04 3.66 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 110.399 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 23.1 t -75.18 0.13 17.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.458 1.099 . . . . 0.0 110.017 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -77.86 -43.23 30.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 110.294 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.978 HG23 ' O ' ' A' ' 38' ' ' GLN . 0.1 OUTLIER -105.52 -23.46 12.79 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 110.402 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.478 ' SG ' ' HD2' ' A' ' 12' ' ' PRO . 31.0 t -64.24 138.21 97.35 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 108.308 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.558 ' HG2' ' CE2' ' A' ' 13' ' ' TYR . 18.3 Cg_endo -75.07 -14.87 20.86 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.5 1.789 . . . . 0.0 111.009 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.558 ' CE2' ' HG2' ' A' ' 12' ' ' PRO . 26.3 m-85 -112.46 145.82 39.52 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.474 1.109 . . . . 0.0 110.995 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.444 ' HD3' ' N ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -135.78 31.16 3.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 109.279 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -100.43 -45.63 5.5 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.128 . . . . 0.0 109.306 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -165.48 154.49 12.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 109.306 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.508 ' HB3' ' CG ' ' A' ' 6' ' ' TYR . 78.4 p -73.41 -34.52 65.54 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 110.016 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -72.5 -26.07 61.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 110.273 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.902 HD13 ' N ' ' A' ' 20' ' ' ALA . 0.3 OUTLIER -63.89 -59.91 3.93 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 109.311 -179.965 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.902 ' N ' HD13 ' A' ' 19' ' ' LEU . . . -59.74 -33.23 71.39 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 0.0 109.343 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' TRP . . . . . 0.537 ' CE2' ' HB2' ' A' ' 25' ' ' SER . 4.6 t-105 -67.47 -38.18 84.01 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -65.25 -12.85 55.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 0.0 109.242 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.581 HG22 ' N ' ' A' ' 24' ' ' CYS . 0.8 OUTLIER -90.13 -69.65 0.71 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 110.376 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.581 ' N ' HG22 ' A' ' 23' ' ' THR . 0.0 OUTLIER -67.0 -65.01 0.73 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 108.324 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.537 ' HB2' ' CE2' ' A' ' 21' ' ' TRP . 0.0 OUTLIER -78.24 53.31 1.22 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 110.007 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.994 0 O-C-N 124.466 1.104 . . . . 0.0 111.021 -179.974 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 1.1 p-10 . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.497 ' CB ' ' O ' ' A' ' 24' ' ' CYS . 11.6 p -84.61 138.28 32.8 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.539 1.149 . . . . 0.0 108.309 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 174.54 -178.32 46.38 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.522 1.139 . . . . 0.0 110.977 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.407 ' O ' ' SG ' ' A' ' 36' ' ' CYS . 96.4 m -83.04 -4.87 58.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 0.748 . . . . 0.0 110.44 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.404 ' O ' ' HB2' ' A' ' 38' ' ' GLN . 71.9 t -74.97 -41.35 45.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.522 1.139 . . . . 0.0 109.299 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -63.79 -13.53 45.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 108.329 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.537 ' SG ' ' N ' ' A' ' 37' ' ' GLY . 0.7 OUTLIER -54.64 -52.58 61.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.117 . . . . 0.0 108.274 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.537 ' N ' ' SG ' ' A' ' 36' ' ' CYS . . . -113.84 39.14 2.92 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.491 1.12 . . . . 0.0 110.96 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.978 ' O ' HG23 ' A' ' 10' ' ' THR . 18.4 tp60 -120.68 -45.99 2.38 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.53 0.783 . . . . 0.0 110.282 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.61 ' HB3' ' CE1' ' A' ' 40' ' ' PHE . 0.5 OUTLIER -111.99 -26.73 8.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 108.294 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.61 ' CE1' ' HB3' ' A' ' 39' ' ' CYS . 0.6 OUTLIER -135.55 -172.83 3.18 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.534 1.146 . . . . 0.0 111.013 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.51 ' O ' ' HB ' ' A' ' 44' ' ' VAL . 0.0 OUTLIER -150.93 157.06 42.43 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 110.016 -179.957 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.711 ' CG ' ' HA ' ' A' ' 43' ' ' PRO . 0.2 OUTLIER -55.65 155.49 10.7 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 111.001 -179.991 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.711 ' HA ' ' CG ' ' A' ' 42' ' ' PHE . 18.3 Cg_endo -74.99 8.44 10.03 Favored 'Cis proline' 0 C--N 1.36 1.134 0 C-N-CA 120.997 -2.501 . . . . 0.0 111.055 -0.022 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.51 ' HB ' ' O ' ' A' ' 41' ' ' SER . 2.1 t -71.15 -38.73 72.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 109.27 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.542 ' HB3' ' N ' ' A' ' 42' ' ' PHE . 0.1 OUTLIER -51.09 -21.81 2.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.447 1.092 . . . . 0.0 109.988 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.571 ' HB2' ' CE1' ' A' ' 42' ' ' PHE . 2.1 tt0 -77.65 -31.58 52.75 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.545 1.153 . . . . 0.0 110.279 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . 0.417 ' N ' ' O ' ' A' ' 44' ' ' VAL . 1.4 m -76.83 -37.58 55.4 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 0.0 109.975 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . 0.43 ' O ' ' HB2' ' A' ' 52' ' ' ALA . 0.1 OUTLIER -53.94 -50.22 66.95 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.543 1.152 . . . . 0.0 108.273 -179.976 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -72.31 -23.03 61.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.546 1.154 . . . . 0.0 109.297 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -74.51 -52.5 7.35 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.51 1.131 . . . . 0.0 111.034 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . 0.455 ' CB ' ' CZ2' ' A' ' 21' ' ' TRP . 9.1 tpt -86.55 22.6 1.84 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 0.782 . . . . 0.0 111.042 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.43 ' HB2' ' O ' ' A' ' 48' ' ' CYS . . . . . . . . 0 C--N 1.326 -0.447 0 O-C-N 124.492 1.12 . . . . 0.0 109.278 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -54.19 -29.24 45.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 110.317 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -74.44 -9.54 58.69 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.545 1.153 . . . . 0.0 109.331 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 20.5 m-85 -124.74 20.84 8.46 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.433 1.083 . . . . 0.0 111.011 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . 0.455 ' CG ' ' HB3' ' A' ' 17' ' ' SER . 3.3 t80 -78.72 118.89 21.22 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.496 1.123 . . . . 0.0 110.966 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.423 ' O ' ' HB2' ' A' ' 11' ' ' CYS . 69.9 p -104.2 87.44 2.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 110.431 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 14.3 t -72.23 -2.1 17.64 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.51 1.131 . . . . 0.0 109.999 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -77.66 -49.47 14.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.458 1.099 . . . . 0.0 110.314 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.97 HG23 ' O ' ' A' ' 38' ' ' GLN . 0.6 OUTLIER -97.82 -23.96 15.64 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.123 . . . . 0.0 110.402 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.45 ' SG ' ' HD2' ' A' ' 12' ' ' PRO . 36.8 t -63.82 137.65 97.16 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.117 . . . . 0.0 108.305 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.45 ' HD2' ' SG ' ' A' ' 11' ' ' CYS . 18.4 Cg_endo -74.99 -8.85 20.45 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.494 1.786 . . . . 0.0 111.025 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.407 ' CD2' ' HB2' ' A' ' 20' ' ' ALA . 90.7 m-85 -113.46 149.4 34.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.56 1.162 . . . . 0.0 110.989 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.459 ' HD3' ' N ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -137.22 32.22 2.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 109.309 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . 0.566 ' HB3' HD22 ' A' ' 19' ' ' LEU . 19.3 t-20 -102.76 -53.04 2.94 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 109.322 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -165.63 164.03 19.18 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.489 1.118 . . . . 0.0 109.289 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.455 ' HB3' ' CG ' ' A' ' 6' ' ' TYR . 58.7 p -77.83 -27.47 49.97 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.464 1.102 . . . . 0.0 110.007 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.436 ' O ' ' N ' ' A' ' 22' ' ' ASP . 52.7 mt-30 -73.59 -29.86 62.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.446 1.091 . . . . 0.0 110.298 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.566 HD22 ' HB3' ' A' ' 15' ' ' ASN . 7.3 tp -64.35 -65.53 0.66 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 0.0 109.341 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.557 ' CB ' ' SG ' ' A' ' 39' ' ' CYS . . . -55.63 -35.08 65.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 109.33 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' TRP . . . . . 0.599 ' CE3' ' OG ' ' A' ' 25' ' ' SER . 12.0 t-105 -69.8 -37.87 76.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.135 . . . . 0.0 108.013 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.436 ' N ' ' O ' ' A' ' 18' ' ' GLN . 7.7 t70 -70.14 -11.92 61.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.438 1.087 . . . . 0.0 109.297 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.409 ' HB ' ' O ' ' A' ' 20' ' ' ALA . 1.0 OUTLIER -88.18 -68.63 0.75 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 110.38 -179.987 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -73.17 -58.89 2.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 108.253 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.599 ' OG ' ' CE3' ' A' ' 21' ' ' TRP . 0.0 OUTLIER -77.46 52.99 1.01 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.509 1.131 . . . . 0.0 110.027 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 O-C-N 124.475 1.11 . . . . 0.0 110.942 -179.956 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 109.279 -0.638 . . . . 0.0 109.279 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.406 ' SG ' ' O ' ' A' ' 52' ' ' ALA . 5.0 p -69.07 124.92 25.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 0.0 108.256 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -170.35 176.75 43.88 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.46 1.1 . . . . 0.0 111.033 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.467 ' HA ' ' SG ' ' A' ' 36' ' ' CYS . 81.2 m -85.63 -3.07 58.78 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 0.748 . . . . 0.0 110.4 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.485 ' O ' ' HB2' ' A' ' 38' ' ' GLN . 81.3 t -81.17 -35.77 14.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 109.276 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -63.36 -12.62 31.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 108.305 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.676 ' SG ' ' HB2' ' A' ' 49' ' ' ALA . 79.2 m -54.17 -79.82 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 108.295 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -86.8 42.5 3.16 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.556 1.16 . . . . 0.0 111.034 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.97 ' O ' HG23 ' A' ' 10' ' ' THR . 5.9 tp60 -123.2 -46.05 2.08 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 0.745 . . . . 0.0 110.314 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.621 ' HB3' ' CE1' ' A' ' 40' ' ' PHE . 0.5 OUTLIER -110.69 -27.13 9.05 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.491 1.119 . . . . 0.0 108.314 180.0 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.621 ' CE1' ' HB3' ' A' ' 39' ' ' CYS . 0.6 OUTLIER -135.15 -177.89 4.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 110.987 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.499 ' O ' ' HB ' ' A' ' 44' ' ' VAL . 3.1 m -141.28 156.58 45.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 109.981 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.708 ' CD2' ' HA ' ' A' ' 43' ' ' PRO . 0.2 OUTLIER -54.67 154.57 8.95 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 110.98 179.998 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.708 ' HA ' ' CD2' ' A' ' 42' ' ' PHE . 18.3 Cg_endo -74.99 8.15 10.25 Favored 'Cis proline' 0 C--N 1.36 1.151 0 C-N-CA 121.05 -2.479 . . . . 0.0 110.988 0.009 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.5 ' N ' ' HA ' ' A' ' 42' ' ' PHE . 2.1 t -71.29 -37.9 67.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.31 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.551 ' HB3' ' N ' ' A' ' 42' ' ' PHE . 0.2 OUTLIER -52.87 -18.34 1.87 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.553 1.158 . . . . 0.0 109.977 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.586 ' HB2' ' CE1' ' A' ' 42' ' ' PHE . 1.8 tt0 -88.15 -23.68 23.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 110.292 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -76.02 -38.5 57.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 110.008 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . 0.518 ' O ' ' HB2' ' A' ' 52' ' ' ALA . 1.6 t -53.14 -65.39 0.57 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 108.32 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.676 ' HB2' ' SG ' ' A' ' 36' ' ' CYS . . . -56.77 -18.47 12.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.253 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -81.49 -57.67 2.71 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.481 1.113 . . . . 0.0 111.041 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . 0.43 ' O ' ' HA ' ' A' ' 25' ' ' SER . 0.4 OUTLIER -86.14 19.91 2.5 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.493 0.761 . . . . 0.0 111.03 179.94 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.518 ' HB2' ' O ' ' A' ' 48' ' ' CYS . . . . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.549 1.156 . . . . 0.0 109.294 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . 0.425 HG13 ' OG ' ' A' ' 17' ' ' SER . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.26 -0.645 . . . . 0.0 109.26 . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -53.18 -24.74 11.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 110.278 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -75.56 -1.52 24.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.336 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . 0.404 ' O ' ' HA ' ' A' ' 40' ' ' PHE . 22.4 m-85 -135.36 21.19 3.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 110.988 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . 0.542 ' CG ' ' HB2' ' A' ' 17' ' ' SER . 2.5 t80 -78.21 117.6 19.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 111.017 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.403 ' O ' ' HB2' ' A' ' 11' ' ' CYS . 9.5 p -104.08 90.4 3.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.147 . . . . 0.0 110.454 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 7.0 t -75.0 -0.31 18.39 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 110.015 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -77.65 -48.91 15.66 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.446 1.091 . . . . 0.0 110.296 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.864 HG23 ' O ' ' A' ' 38' ' ' GLN . 0.4 OUTLIER -98.93 -24.44 14.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.139 . . . . 0.0 110.416 179.964 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.453 ' SG ' ' HD2' ' A' ' 12' ' ' PRO . 38.2 t -64.4 137.58 97.17 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 0.0 108.308 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.453 ' HD2' ' SG ' ' A' ' 11' ' ' CYS . 18.4 Cg_endo -74.9 -3.29 13.69 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.459 1.768 . . . . 0.0 111.043 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.406 ' CD2' ' HB2' ' A' ' 20' ' ' ALA . 94.9 m-85 -117.55 152.39 35.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.559 1.162 . . . . 0.0 111.037 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.431 ' HD3' ' N ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -145.14 31.4 1.12 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 109.332 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -107.3 -47.72 3.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.249 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -165.31 150.37 9.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 109.318 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.542 ' HB2' ' CG ' ' A' ' 6' ' ' TYR . 12.3 t -68.45 -35.34 77.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.992 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.417 ' O ' ' N ' ' A' ' 22' ' ' ASP . 3.1 tt0 -64.88 -35.55 81.49 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 110.257 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 18.6 tp -57.46 -63.14 1.33 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 109.308 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.547 ' CB ' ' SG ' ' A' ' 39' ' ' CYS . . . -56.25 -37.49 69.85 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.547 1.154 . . . . 0.0 109.283 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' TRP . . . . . 0.543 ' CE2' ' HB2' ' A' ' 25' ' ' SER . 6.8 t-105 -64.65 -38.99 92.87 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 107.962 -1.125 . . . . 0.0 107.962 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.417 ' N ' ' O ' ' A' ' 18' ' ' GLN . 1.4 t0 -68.29 -12.52 61.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 109.311 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.403 ' HB ' ' O ' ' A' ' 20' ' ' ALA . 0.7 OUTLIER -88.81 -50.27 6.32 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.117 . . . . 0.0 110.412 179.971 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.486 ' O ' ' CB ' ' A' ' 31' ' ' CYS . 0.0 OUTLIER -86.7 -72.51 0.5 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 108.341 179.963 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.543 ' HB2' ' CE2' ' A' ' 21' ' ' TRP . 0.0 OUTLIER -80.09 51.53 1.39 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 0.0 110.01 179.975 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.944 0 O-C-N 124.503 1.127 . . . . 0.0 111.005 179.958 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 18.8 p30 . . . . . 0 N--CA 1.454 -0.266 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.486 ' CB ' ' O ' ' A' ' 24' ' ' CYS . 1.0 OUTLIER -57.99 145.64 35.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.141 . . . . 0.0 108.317 179.975 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 170.24 -178.34 43.05 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.543 1.152 . . . . 0.0 110.958 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.504 ' HA ' ' SG ' ' A' ' 36' ' ' CYS . 88.9 m -85.44 -5.16 59.32 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.496 0.762 . . . . 0.0 110.441 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.472 ' O ' ' HB2' ' A' ' 38' ' ' GLN . 97.8 t -81.89 -38.31 15.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.54 1.15 . . . . 0.0 109.271 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -62.02 -14.98 40.91 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.478 1.111 . . . . 0.0 108.324 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.804 ' SG ' ' HB2' ' A' ' 49' ' ' ALA . 72.7 m -55.04 -57.52 11.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.117 . . . . 0.0 108.312 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -109.23 42.5 1.94 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.528 1.143 . . . . 0.0 110.983 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.864 ' O ' HG23 ' A' ' 10' ' ' THR . 2.7 tt0 -122.19 -48.54 2.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 0.776 . . . . 0.0 110.264 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.565 ' HB3' ' CE1' ' A' ' 40' ' ' PHE . 0.5 OUTLIER -109.85 -24.4 10.87 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.551 1.157 . . . . 0.0 108.286 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.565 ' CE1' ' HB3' ' A' ' 39' ' ' CYS . 1.0 OUTLIER -135.73 -178.66 5.23 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.511 1.132 . . . . 0.0 111.034 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.502 ' O ' ' HB ' ' A' ' 44' ' ' VAL . 1.0 OUTLIER -144.74 157.4 44.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 110.005 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.721 ' CD2' ' HA ' ' A' ' 43' ' ' PRO . 0.2 OUTLIER -54.4 153.83 9.45 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.532 1.145 . . . . 0.0 111.021 -179.992 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.721 ' HA ' ' CD2' ' A' ' 42' ' ' PHE . 18.3 Cg_endo -75.0 7.4 10.88 Favored 'Cis proline' 0 C--N 1.36 1.142 0 C-N-CA 121.069 -2.471 . . . . 0.0 110.971 0.046 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.502 ' HB ' ' O ' ' A' ' 41' ' ' SER . 2.1 t -70.78 -36.89 66.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.311 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.558 ' HB3' ' N ' ' A' ' 42' ' ' PHE . 0.1 OUTLIER -51.75 -18.53 1.27 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.129 . . . . 0.0 110.019 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.594 ' HB2' ' CE1' ' A' ' 42' ' ' PHE . 11.1 tp60 -87.66 -28.1 22.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 110.325 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . 0.44 ' N ' ' O ' ' A' ' 44' ' ' VAL . 12.9 m -71.57 -39.33 70.67 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.516 1.135 . . . . 0.0 110.044 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 1.1 t -53.09 -70.01 0.1 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.145 . . . . 0.0 108.32 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.804 ' HB2' ' SG ' ' A' ' 36' ' ' CYS . . . -55.24 -20.2 10.3 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 109.278 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -75.53 -56.46 4.61 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.481 1.113 . . . . 0.0 111.044 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . 0.465 ' HB3' ' CZ2' ' A' ' 21' ' ' TRP . 1.3 tpp -85.22 15.05 4.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.456 0.739 . . . . 0.0 111.016 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 109.305 -179.985 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -106.59 -39.97 5.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 0.0 109.334 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -54.45 -32.09 56.9 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 110.282 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -74.21 -12.07 60.47 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.45 1.094 . . . . 0.0 109.269 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.745 ' CG ' HG21 ' A' ' 44' ' ' VAL . 16.7 m-85 -121.12 15.69 11.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.133 . . . . 0.0 111.003 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.536 ' CG ' ' HB3' ' A' ' 17' ' ' SER . 5.9 t80 -77.93 136.6 38.04 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.128 . . . . 0.0 111.025 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 9.9 p -117.76 87.98 2.82 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.546 1.154 . . . . 0.0 110.402 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 27.9 t -72.65 -3.18 23.36 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.465 1.103 . . . . 0.0 110.035 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -74.83 -44.62 48.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.143 . . . . 0.0 110.33 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.883 HG23 ' O ' ' A' ' 38' ' ' GLN . 0.1 OUTLIER -103.35 -25.33 13.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.561 1.163 . . . . 0.0 110.392 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.449 ' SG ' ' CB ' ' A' ' 20' ' ' ALA . 21.7 t -64.34 136.39 96.74 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 108.315 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.41 ' HD2' ' SG ' ' A' ' 11' ' ' CYS . 18.2 Cg_endo -75.03 -5.48 16.84 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.476 1.777 . . . . 0.0 110.98 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 86.4 m-85 -115.62 130.67 56.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 110.973 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.53 31.41 6.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 109.335 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 4.6 t30 -101.12 -54.83 2.7 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.472 1.108 . . . . 0.0 109.294 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -165.17 158.98 17.1 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.471 1.107 . . . . 0.0 109.302 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.536 ' HB3' ' CG ' ' A' ' 6' ' ' TYR . 58.4 p -71.38 -30.77 66.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.564 1.165 . . . . 0.0 110.038 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.434 ' O ' ' N ' ' A' ' 22' ' ' ASP . 45.4 mt-30 -67.04 -27.31 67.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 110.261 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 51.7 tp -67.6 -65.17 0.72 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 109.308 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.449 ' CB ' ' SG ' ' A' ' 11' ' ' CYS . . . -55.75 -34.26 65.03 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 0.0 109.27 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' TRP . . . . . 0.557 ' HB2' ' CZ ' ' A' ' 40' ' ' PHE . 5.2 t-105 -72.2 -40.05 68.15 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 107.988 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.434 ' N ' ' O ' ' A' ' 18' ' ' GLN . 8.8 m-20 -64.97 -14.34 59.9 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.104 . . . . 0.0 109.273 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.513 HG22 ' N ' ' A' ' 24' ' ' CYS . 0.8 OUTLIER -89.02 -65.66 1.0 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 110.4 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.513 ' N ' HG22 ' A' ' 23' ' ' THR . 0.0 OUTLIER -65.1 -68.38 0.37 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.452 1.095 . . . . 0.0 108.301 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.432 ' O ' ' SD ' ' A' ' 51' ' ' MET . 0.0 OUTLIER -80.52 52.41 1.64 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 110.05 179.969 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -123.91 -2.82 8.52 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.513 1.133 . . . . 0.0 111.055 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 96.45 -29.71 9.86 Favored Glycine 0 CA--C 1.53 0.997 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 57.7 p -133.16 -173.73 3.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.448 0.734 . . . . 0.0 110.415 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 88.31 -111.98 3.84 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.541 1.15 . . . . 0.0 111.017 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -130.79 56.39 1.79 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 0.759 . . . . 0.0 109.291 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.42 ' HB2' ' HB1' ' A' ' 52' ' ' ALA . 0.8 OUTLIER -73.71 154.0 39.83 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 108.323 179.971 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 158.78 -176.04 35.71 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.52 1.137 . . . . 0.0 110.975 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.424 ' HA ' ' HB2' ' A' ' 49' ' ' ALA . 90.7 m -84.52 -4.52 59.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 0.771 . . . . 0.0 110.434 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.446 ' O ' ' HB2' ' A' ' 38' ' ' GLN . 59.6 t -73.89 -44.04 51.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.113 . . . . 0.0 109.286 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.404 ' C ' ' SG ' ' A' ' 48' ' ' CYS . 0.0 OUTLIER -63.02 -14.76 51.89 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 108.325 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.535 ' SG ' ' N ' ' A' ' 37' ' ' GLY . 0.5 OUTLIER -56.03 -52.54 63.88 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.534 1.146 . . . . 0.0 108.298 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.535 ' N ' ' SG ' ' A' ' 36' ' ' CYS . . . -113.64 41.04 2.31 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.49 1.119 . . . . 0.0 111.034 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.883 ' O ' HG23 ' A' ' 10' ' ' THR . 0.7 OUTLIER -118.45 -53.28 2.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 0.763 . . . . 0.0 110.335 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.426 ' SG ' ' HB1' ' A' ' 20' ' ' ALA . 75.3 m -109.79 -21.94 12.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 108.287 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.557 ' CZ ' ' HB2' ' A' ' 21' ' ' TRP . 1.1 m-85 -135.39 -175.52 3.96 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 111.056 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.506 ' O ' ' HB ' ' A' ' 44' ' ' VAL . 2.1 m -152.65 156.67 39.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.993 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.746 ' CD2' ' HA ' ' A' ' 43' ' ' PRO . 0.2 OUTLIER -53.53 154.07 6.89 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.11 . . . . 0.0 110.996 179.969 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.746 ' HA ' ' CD2' ' A' ' 42' ' ' PHE . 18.2 Cg_endo -75.07 8.02 10.6 Favored 'Cis proline' 0 C--N 1.36 1.178 0 C-N-CA 121.004 -2.499 . . . . 0.0 110.979 0.061 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.745 HG21 ' CG ' ' A' ' 5' ' ' PHE . 2.2 t -70.53 -39.15 75.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.122 . . . . 0.0 109.307 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.492 ' H ' ' C ' ' A' ' 41' ' ' SER . 0.4 OUTLIER -51.4 -21.61 2.42 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.105 . . . . 0.0 110.011 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.583 ' HB2' ' CE1' ' A' ' 42' ' ' PHE . 4.7 tp-100 -77.98 -31.51 50.8 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.437 1.085 . . . . 0.0 110.314 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . 0.418 ' N ' ' O ' ' A' ' 44' ' ' VAL . 1.5 m -75.9 -38.33 57.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.127 . . . . 0.0 109.982 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . 0.472 ' O ' ' HB2' ' A' ' 52' ' ' ALA . 0.1 OUTLIER -59.14 -55.14 38.79 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.491 1.119 . . . . 0.0 108.268 -179.951 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.424 ' HB2' ' HA ' ' A' ' 33' ' ' THR . . . -73.78 -4.71 36.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 109.268 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -93.75 -50.93 2.22 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.498 1.124 . . . . 0.0 110.971 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . 0.453 ' SD ' ' CZ2' ' A' ' 21' ' ' TRP . 0.3 OUTLIER -85.76 14.64 5.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 0.754 . . . . 0.0 110.999 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.472 ' HB2' ' O ' ' A' ' 48' ' ' CYS . . . -89.25 32.13 0.86 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 109.326 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 57.36 162.21 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.124 . . . . 0.0 109.268 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -100.81 -75.08 0.59 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 110.013 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -112.35 -8.56 13.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.453 1.095 . . . . 0.0 109.265 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 48.4 m-20 -74.95 -19.65 60.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 109.298 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -74.96 163.49 67.82 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 108.323 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 56.44 4.22 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.448 1.762 . . . . 0.0 111.007 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 55.4 m-20 -92.76 165.94 12.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 109.333 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 109.309 179.978 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -82.73 -38.48 14.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.146 . . . . 0.0 109.349 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.98 -29.77 44.31 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.515 1.134 . . . . 0.0 110.269 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -74.58 -5.97 45.9 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.475 1.109 . . . . 0.0 109.272 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.534 ' CG ' HG21 ' A' ' 44' ' ' VAL . 17.7 m-85 -126.61 15.58 7.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 111.014 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -77.78 106.53 9.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.142 . . . . 0.0 111.032 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 8.9 p -92.15 87.13 6.0 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.139 . . . . 0.0 110.425 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 31.3 t -70.76 -5.2 28.26 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 110.02 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.12 -49.67 34.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.577 1.173 . . . . 0.0 110.305 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.906 HG23 ' O ' ' A' ' 38' ' ' GLN . 0.1 OUTLIER -96.79 -26.4 15.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 110.383 -179.961 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.414 ' SG ' ' HD2' ' A' ' 12' ' ' PRO . 11.3 t -64.49 136.6 96.83 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.13 . . . . 0.0 108.321 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.414 ' HD2' ' SG ' ' A' ' 11' ' ' CYS . 18.3 Cg_endo -75.07 -8.54 20.08 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.554 1.818 . . . . 0.0 111.01 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 95.8 m-85 -110.62 142.64 42.2 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 110.974 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.426 ' HD3' ' N ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -134.69 28.57 3.59 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 1.109 . . . . 0.0 109.309 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 12.9 t30 -100.71 -54.4 2.84 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 109.312 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -163.01 152.01 14.78 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.486 1.116 . . . . 0.0 109.301 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 79.3 p -66.48 -34.56 78.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 110.054 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 45.1 tt0 -65.68 -22.08 66.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 110.271 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 57.7 tp -71.72 -62.14 1.53 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 109.281 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.412 ' CB ' ' SG ' ' A' ' 11' ' ' CYS . . . -57.86 -33.36 68.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 109.299 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' TRP . . . . . 0.527 ' CE2' ' HB2' ' A' ' 25' ' ' SER . 4.8 t-105 -71.94 -38.42 69.82 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.14 . . . . 0.0 108.006 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -64.93 -12.11 45.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 109.265 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.471 HG22 ' N ' ' A' ' 24' ' ' CYS . 0.8 OUTLIER -89.49 -62.98 1.35 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 0.0 110.37 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.471 ' N ' HG22 ' A' ' 23' ' ' THR . 0.0 OUTLIER -73.36 -71.61 0.3 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 0.0 108.314 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.527 ' HB2' ' CE2' ' A' ' 21' ' ' TRP . 0.1 OUTLIER -80.54 52.68 1.7 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 110.0 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -122.71 -3.53 9.18 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.46 1.1 . . . . 0.0 111.027 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.403 ' O ' ' OD2' ' A' ' 53' ' ' ASP . . . 104.82 -41.01 2.26 Favored Glycine 0 CA--C 1.53 0.978 0 N-CA-C 111.026 -0.829 . . . . 0.0 111.026 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.41 ' O ' ' O ' ' A' ' 23' ' ' THR . 75.5 p -129.9 -177.34 4.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 0.771 . . . . 0.0 110.44 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 95.11 -126.38 8.72 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.492 1.12 . . . . 0.0 110.986 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.402 ' OD1' ' CG2' ' A' ' 23' ' ' THR . 13.4 p30 -112.4 53.99 0.72 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 0.766 . . . . 0.0 109.295 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.406 ' SG ' ' O ' ' A' ' 52' ' ' ALA . 1.8 p -70.71 147.47 49.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 108.265 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 166.92 -177.83 41.46 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.51 1.131 . . . . 0.0 111.013 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.413 ' O ' ' SG ' ' A' ' 36' ' ' CYS . 41.0 m -84.6 -4.26 58.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 0.784 . . . . 0.0 110.404 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.438 ' O ' ' HB2' ' A' ' 38' ' ' GLN . 93.6 t -73.76 -42.92 54.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.249 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -62.73 -15.29 52.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.449 1.093 . . . . 0.0 108.262 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.542 ' SG ' ' N ' ' A' ' 37' ' ' GLY . 0.5 OUTLIER -55.23 -53.16 59.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 108.269 -179.954 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.542 ' N ' ' SG ' ' A' ' 36' ' ' CYS . . . -113.96 43.25 1.74 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.48 1.113 . . . . 0.0 111.033 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.906 ' O ' HG23 ' A' ' 10' ' ' THR . 2.3 tt0 -120.3 -52.11 2.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 0.752 . . . . 0.0 110.241 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 88.9 m -111.76 -20.94 11.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 108.339 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.52 ' CZ ' ' HB2' ' A' ' 21' ' ' TRP . 1.1 m-85 -135.76 -178.61 5.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.103 . . . . 0.0 111.05 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.513 ' O ' ' HB ' ' A' ' 44' ' ' VAL . 0.0 OUTLIER -149.63 157.02 42.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 110.039 179.961 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.735 ' CD2' ' HA ' ' A' ' 43' ' ' PRO . 0.2 OUTLIER -54.01 154.31 7.77 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.54 1.15 . . . . 0.0 110.966 -179.968 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.735 ' HA ' ' CD2' ' A' ' 42' ' ' PHE . 18.4 Cg_endo -74.93 8.29 10.03 Favored 'Cis proline' 0 C--N 1.36 1.152 0 C-N-CA 121.033 -2.486 . . . . 0.0 111.012 -0.061 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.534 HG21 ' CG ' ' A' ' 5' ' ' PHE . 2.2 t -70.68 -39.35 75.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.444 1.09 . . . . 0.0 109.308 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.494 ' H ' ' C ' ' A' ' 41' ' ' SER . 0.6 OUTLIER -52.03 -25.34 8.29 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.492 1.12 . . . . 0.0 110.019 179.976 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.561 ' HB2' ' CE1' ' A' ' 42' ' ' PHE . 16.8 tt0 -74.91 -30.41 61.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 110.267 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.4 m -76.14 -39.94 53.84 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.532 1.145 . . . . 0.0 110.014 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . 0.525 ' O ' ' HB2' ' A' ' 52' ' ' ALA . 0.4 OUTLIER -54.01 -60.21 3.63 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.552 1.158 . . . . 0.0 108.304 179.964 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.54 -15.97 61.83 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.113 . . . . 0.0 109.294 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -81.19 -54.44 3.56 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.548 1.155 . . . . 0.0 111.012 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . 0.402 ' HB3' ' CB ' ' A' ' 25' ' ' SER . 1.0 OUTLIER -85.48 15.0 4.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 0.771 . . . . 0.0 110.975 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.525 ' HB2' ' O ' ' A' ' 48' ' ' CYS . . . -89.49 25.28 2.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.543 1.152 . . . . 0.0 109.286 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.403 ' OD2' ' O ' ' A' ' 27' ' ' GLY . 3.6 m-20 58.55 158.3 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.5 1.125 . . . . 0.0 109.312 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -109.5 -79.96 0.58 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.149 . . . . 0.0 109.974 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 5.4 t-20 -101.67 -9.58 20.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.147 . . . . 0.0 109.275 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -74.85 -33.8 62.18 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.115 . . . . 0.0 109.342 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . 0.4 ' SG ' ' O ' ' A' ' 27' ' ' GLY . 0.0 OUTLIER -63.38 166.08 9.73 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 108.321 179.951 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 56.17 4.2 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.469 1.773 . . . . 0.0 110.978 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 15.1 m120 -89.69 164.14 14.82 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.113 . . . . 0.0 109.309 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.543 1.152 . . . . 0.0 109.267 179.97 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 61.6 m-20 . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.265 -0.643 . . . . 0.0 109.265 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -96.11 -34.43 5.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.271 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.08 -31.87 53.08 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 110.266 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 22.6 m-20 -74.31 -4.25 35.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 109.334 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.655 ' CG ' HG21 ' A' ' 44' ' ' VAL . 11.7 m-85 -128.84 17.93 6.21 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 110.971 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.52 ' CG ' ' HB3' ' A' ' 17' ' ' SER . 2.5 t80 -78.46 118.18 20.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.098 . . . . 0.0 110.984 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.403 ' O ' ' HB2' ' A' ' 11' ' ' CYS . 65.4 p -103.41 83.54 2.19 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.109 . . . . 0.0 110.424 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.4 t -65.3 -10.03 29.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 109.997 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -69.8 -57.96 4.46 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.547 1.154 . . . . 0.0 110.295 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.919 HG23 ' O ' ' A' ' 38' ' ' GLN . 0.2 OUTLIER -85.35 -29.35 24.54 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.48 1.113 . . . . 0.0 110.364 -179.968 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.456 ' SG ' ' CB ' ' A' ' 20' ' ' ALA . 6.7 t -64.22 137.27 97.07 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 108.252 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.558 ' HG2' ' CE2' ' A' ' 13' ' ' TYR . 18.3 Cg_endo -75.0 -12.07 21.49 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.489 1.784 . . . . 0.0 111.04 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.617 ' CD1' HD11 ' A' ' 19' ' ' LEU . 50.6 m-85 -117.02 139.1 51.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.118 . . . . 0.0 110.966 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.96 32.03 4.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.288 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 4.8 t-20 -98.0 -42.85 7.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 109.302 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -165.24 151.33 9.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.566 1.166 . . . . 0.0 109.295 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.52 ' HB3' ' CG ' ' A' ' 6' ' ' TYR . 37.6 p -70.81 -35.53 72.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 110.034 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 96.0 mt-30 -72.89 -23.64 60.74 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 110.284 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.753 HD13 ' N ' ' A' ' 20' ' ' ALA . 0.4 OUTLIER -64.33 -59.55 4.24 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.525 1.141 . . . . 0.0 109.333 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.753 ' N ' HD13 ' A' ' 19' ' ' LEU . . . -59.93 -34.62 73.47 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.474 1.109 . . . . 0.0 109.302 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' TRP . . . . . 0.543 ' HB2' ' CZ ' ' A' ' 40' ' ' PHE . 2.7 t-105 -67.37 -40.56 85.74 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 107.998 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -64.46 -13.56 52.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.31 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -89.05 -50.52 6.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 110.361 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.506 ' O ' ' CB ' ' A' ' 31' ' ' CYS . 0.0 OUTLIER -83.99 -70.97 0.53 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.507 1.13 . . . . 0.0 108.276 -179.972 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.512 ' HB2' ' CE2' ' A' ' 21' ' ' TRP . 0.0 OUTLIER -79.92 52.1 1.44 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 109.98 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -124.23 -1.66 8.57 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.556 1.16 . . . . 0.0 110.982 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 104.81 -46.63 1.16 Allowed Glycine 0 CA--C 1.53 1.019 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 81.6 p -121.84 178.13 5.0 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.53 0.782 . . . . 0.0 110.424 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 93.76 -136.45 13.07 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.494 1.121 . . . . 0.0 110.971 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 26.9 p30 -94.76 37.65 1.13 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.491 0.759 . . . . 0.0 109.321 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.506 ' CB ' ' O ' ' A' ' 24' ' ' CYS . 12.8 p -63.06 130.97 46.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 108.312 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 175.14 -175.89 47.16 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.531 1.144 . . . . 0.0 110.992 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.547 ' HA ' ' HB2' ' A' ' 49' ' ' ALA . 95.7 m -84.5 -4.94 59.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 0.767 . . . . 0.0 110.392 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.427 ' O ' ' HB2' ' A' ' 38' ' ' GLN . 53.1 t -74.52 -41.4 49.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.52 1.138 . . . . 0.0 109.289 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.413 ' C ' ' SG ' ' A' ' 48' ' ' CYS . 0.0 OUTLIER -62.91 -14.75 50.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.135 . . . . 0.0 108.267 -179.981 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.533 ' SG ' ' N ' ' A' ' 37' ' ' GLY . 0.6 OUTLIER -54.34 -52.7 60.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 108.29 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.533 ' N ' ' SG ' ' A' ' 36' ' ' CYS . . . -113.98 40.32 2.53 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.492 1.12 . . . . 0.0 110.969 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.919 ' O ' HG23 ' A' ' 10' ' ' THR . 5.5 tp60 -120.74 -45.07 2.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 0.757 . . . . 0.0 110.322 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.428 ' SG ' ' HB1' ' A' ' 20' ' ' ALA . 55.4 m -114.16 -26.0 8.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 108.264 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.543 ' CZ ' ' HB2' ' A' ' 21' ' ' TRP . 0.4 OUTLIER -135.43 -173.02 3.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.465 1.103 . . . . 0.0 111.014 -179.968 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.494 ' O ' ' HB ' ' A' ' 44' ' ' VAL . 2.3 m -151.29 157.26 42.32 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.537 1.148 . . . . 0.0 110.042 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.714 ' CG ' ' HA ' ' A' ' 43' ' ' PRO . 0.1 OUTLIER -55.43 155.79 9.41 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 110.982 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.714 ' HA ' ' CG ' ' A' ' 42' ' ' PHE . 18.5 Cg_endo -74.97 8.74 9.73 Favored 'Cis proline' 0 C--N 1.36 1.149 0 C-N-CA 121.025 -2.489 . . . . 0.0 111.037 -0.063 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.655 HG21 ' CG ' ' A' ' 5' ' ' PHE . 2.1 t -71.53 -39.07 70.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.435 1.084 . . . . 0.0 109.303 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.542 ' HB3' ' N ' ' A' ' 42' ' ' PHE . 0.1 OUTLIER -51.22 -22.77 2.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 0.0 110.053 179.969 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.565 ' HB2' ' CE1' ' A' ' 42' ' ' PHE . 6.1 tt0 -76.04 -31.94 59.09 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.518 1.137 . . . . 0.0 110.283 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.5 m -76.25 -36.53 58.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.151 . . . . 0.0 109.985 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . 0.413 ' SG ' ' C ' ' A' ' 35' ' ' CYS . 0.1 OUTLIER -60.14 -52.92 63.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 108.313 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.547 ' HB2' ' HA ' ' A' ' 33' ' ' THR . . . -77.22 -0.04 23.71 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.437 1.086 . . . . 0.0 109.301 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -99.89 -47.07 1.81 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.467 1.104 . . . . 0.0 110.987 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . 0.52 ' CB ' ' CZ2' ' A' ' 21' ' ' TRP . 1.0 OUTLIER -85.83 10.88 12.47 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 0.768 . . . . 0.0 111.042 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.403 ' O ' ' O ' ' A' ' 53' ' ' ASP . . . -89.84 34.04 0.85 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 109.325 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.475 ' CG ' ' CB ' ' A' ' 56' ' ' ASP . 1.1 m-20 51.33 177.78 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.117 . . . . 0.0 109.302 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -117.95 -70.85 0.77 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 109.97 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -84.9 -16.48 40.99 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 0.0 109.31 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.475 ' CB ' ' CG ' ' A' ' 53' ' ' ASP . 0.5 OUTLIER -74.73 -32.92 62.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.559 1.162 . . . . 0.0 109.309 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -69.13 146.88 97.37 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 108.329 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 58.0 4.73 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.483 1.78 . . . . 0.0 110.983 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 37.6 m-20 -89.25 160.52 16.88 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.461 1.1 . . . . 0.0 109.322 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.121 . . . . 0.0 109.264 -179.977 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -106.23 -35.74 3.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.459 1.099 . . . . 0.0 109.292 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.422 ' HG2' ' N ' ' A' ' 4' ' ' ASP . 4.2 pm0 -54.41 -31.21 54.62 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.458 1.099 . . . . 0.0 110.364 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.422 ' N ' ' HG2' ' A' ' 3' ' ' GLU . 0.2 OUTLIER -74.53 -13.23 60.65 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.52 1.138 . . . . 0.0 109.335 179.963 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.705 ' CG ' HG21 ' A' ' 44' ' ' VAL . 23.7 m-85 -119.85 15.85 12.61 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.497 1.123 . . . . 0.0 110.953 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.53 ' CG ' ' HB3' ' A' ' 17' ' ' SER . 5.4 t80 -77.72 132.41 38.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.137 . . . . 0.0 110.999 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.407 ' O ' ' HB2' ' A' ' 11' ' ' CYS . 42.8 p -114.47 86.38 2.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.453 1.096 . . . . 0.0 110.409 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 29.0 t -71.58 -3.63 22.51 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.509 1.131 . . . . 0.0 109.991 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.87 -54.63 6.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 110.334 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.843 HG23 ' O ' ' A' ' 38' ' ' GLN . 0.7 OUTLIER -92.39 -26.17 18.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.138 . . . . 0.0 110.387 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.457 ' SG ' ' CB ' ' A' ' 20' ' ' ALA . 35.3 t -64.17 136.44 96.75 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.544 1.152 . . . . 0.0 108.281 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.401 ' HD2' ' SG ' ' A' ' 11' ' ' CYS . 18.3 Cg_endo -74.98 -1.99 11.94 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.473 1.775 . . . . 0.0 111.016 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 94.2 m-85 -118.15 131.64 56.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 0.0 110.989 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.39 34.41 5.03 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.466 1.104 . . . . 0.0 109.29 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 4.6 t30 -105.5 -54.18 2.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.12 . . . . 0.0 109.305 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -165.19 156.74 14.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 109.298 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.53 ' HB3' ' CG ' ' A' ' 6' ' ' TYR . 66.3 p -69.91 -32.33 70.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 110.031 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.512 ' O ' ' CB ' ' A' ' 22' ' ' ASP . 49.3 mt-30 -65.65 -24.13 66.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.455 1.097 . . . . 0.0 110.292 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 43.2 tp -70.55 -65.92 0.67 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 0.0 109.278 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.457 ' CB ' ' SG ' ' A' ' 11' ' ' CYS . . . -55.34 -33.78 63.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.259 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' TRP . . . . . 0.57 ' HB2' ' CZ ' ' A' ' 40' ' ' PHE . 5.5 t-105 -74.5 -41.23 61.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.117 . . . . 0.0 108.059 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.512 ' CB ' ' O ' ' A' ' 18' ' ' GLN . 4.4 t70 -65.33 -11.69 44.39 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.441 1.088 . . . . 0.0 109.314 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.418 HG22 ' N ' ' A' ' 24' ' ' CYS . 0.8 OUTLIER -85.65 -61.05 1.85 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.53 1.143 . . . . 0.0 110.392 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.438 ' SG ' ' N ' ' A' ' 25' ' ' SER . 0.0 OUTLIER -79.81 -67.37 0.77 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 108.326 179.958 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.513 ' HB2' ' CE2' ' A' ' 21' ' ' TRP . 0.1 OUTLIER -77.76 53.19 1.1 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.477 1.111 . . . . 0.0 110.035 179.962 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -131.23 8.91 5.66 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.534 1.146 . . . . 0.0 110.954 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.401 ' O ' ' SG ' ' A' ' 57' ' ' CYS . . . 94.85 -32.85 5.76 Favored Glycine 0 CA--C 1.53 0.989 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.403 ' O ' ' O ' ' A' ' 23' ' ' THR . 69.2 p -131.69 -151.76 0.47 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 0.751 . . . . 0.0 110.408 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 73.24 -134.91 20.38 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.488 1.118 . . . . 0.0 110.991 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 25.3 p30 -106.88 43.58 1.14 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 0.753 . . . . 0.0 109.331 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.435 ' CB ' ' O ' ' A' ' 24' ' ' CYS . 0.6 OUTLIER -60.84 137.3 58.22 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 108.252 -179.965 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 176.18 -173.65 46.41 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.441 1.088 . . . . 0.0 111.005 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.437 ' HA ' ' SG ' ' A' ' 36' ' ' CYS . 88.7 m -85.28 -6.33 59.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 0.759 . . . . 0.0 110.402 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.497 ' O ' ' HB2' ' A' ' 38' ' ' GLN . 70.4 t -82.76 -34.65 11.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.311 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -63.37 -19.05 64.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 108.345 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.8 ' SG ' ' HB2' ' A' ' 49' ' ' ALA . 73.6 m -55.63 -78.97 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.542 1.151 . . . . 0.0 108.276 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -84.7 48.63 4.09 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.471 1.107 . . . . 0.0 111.015 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.843 ' O ' HG23 ' A' ' 10' ' ' THR . 2.0 tt0 -120.45 -59.85 1.73 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.428 0.723 . . . . 0.0 110.306 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 61.1 m -112.06 -13.51 13.56 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.457 1.098 . . . . 0.0 108.297 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.57 ' CZ ' ' HB2' ' A' ' 21' ' ' TRP . 1.2 m-85 -135.1 174.5 10.54 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.123 . . . . 0.0 110.99 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.516 ' C ' ' H ' ' A' ' 45' ' ' SER . 3.3 m -143.71 158.23 43.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 109.962 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.741 ' CD2' ' HA ' ' A' ' 43' ' ' PRO . 0.2 OUTLIER -54.73 153.92 10.16 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.511 1.132 . . . . 0.0 111.0 -179.953 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.741 ' HA ' ' CD2' ' A' ' 42' ' ' PHE . 18.3 Cg_endo -74.99 6.46 11.63 Favored 'Cis proline' 0 C--N 1.36 1.162 0 C-N-CA 121.006 -2.497 . . . . 0.0 111.001 -0.022 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.705 HG21 ' CG ' ' A' ' 5' ' ' PHE . 2.0 t -70.17 -36.97 70.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 109.313 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.516 ' H ' ' C ' ' A' ' 41' ' ' SER . 0.6 OUTLIER -52.52 -17.84 1.43 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.54 1.15 . . . . 0.0 110.024 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.615 ' HB2' ' CE1' ' A' ' 42' ' ' PHE . 0.4 OUTLIER -89.08 -25.23 22.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 110.281 179.967 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . 0.449 ' N ' ' O ' ' A' ' 44' ' ' VAL . 2.5 t -75.19 -37.94 61.01 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.524 1.14 . . . . 0.0 110.052 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . 0.433 ' SG ' ' N ' ' A' ' 36' ' ' CYS . 0.1 OUTLIER -54.08 -66.24 0.43 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 108.305 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.8 ' HB2' ' SG ' ' A' ' 36' ' ' CYS . . . -59.48 -16.16 22.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 0.0 109.273 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -80.16 -52.96 4.35 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.477 1.111 . . . . 0.0 111.039 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . 0.433 ' HB3' ' CB ' ' A' ' 25' ' ' SER . 3.9 tpt -85.47 14.34 5.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 0.78 . . . . 0.0 110.998 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.414 ' O ' ' O ' ' A' ' 53' ' ' ASP . . . -90.35 35.08 0.86 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 0.0 109.321 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.414 ' O ' ' O ' ' A' ' 52' ' ' ALA . 0.9 OUTLIER 56.2 164.96 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 109.286 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -98.66 -87.45 0.34 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 109.995 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -105.55 -7.66 18.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.43 1.081 . . . . 0.0 109.354 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -74.44 -21.41 59.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.11 . . . . 0.0 109.264 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . 0.401 ' SG ' ' O ' ' A' ' 27' ' ' GLY . 0.0 OUTLIER -76.05 154.72 84.7 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.565 1.166 . . . . 0.0 108.316 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 55.94 4.13 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.511 1.795 . . . . 0.0 110.99 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.4 ' O ' ' C ' ' A' ' 60' ' ' ALA . 25.9 m-20 -93.61 165.08 12.9 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.513 1.133 . . . . 0.0 109.28 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.4 ' C ' ' O ' ' A' ' 59' ' ' ASN . . . . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.0 109.322 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 16.9 m-20 . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -97.15 -31.69 3.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 0.0 109.316 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -55.94 -29.33 59.96 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 110.292 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -74.24 -5.56 42.72 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.472 1.107 . . . . 0.0 109.276 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 18.4 m-85 -126.88 16.71 7.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 110.983 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.539 ' CG ' ' HB3' ' A' ' 17' ' ' SER . 5.5 t80 -78.79 132.57 36.95 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.47 1.107 . . . . 0.0 111.002 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.424 ' O ' ' OG1' ' A' ' 7' ' ' THR . 8.7 p -121.53 89.38 3.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 110.432 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -67.69 -8.39 34.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.471 1.107 . . . . 0.0 110.005 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -68.96 -46.1 69.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.112 . . . . 0.0 110.27 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.914 HG23 ' O ' ' A' ' 38' ' ' GLN . 0.5 OUTLIER -99.13 -27.91 13.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.133 . . . . 0.0 110.381 -179.983 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.463 ' SG ' ' CB ' ' A' ' 20' ' ' ALA . 7.7 t -64.31 137.29 97.08 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 108.258 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.566 ' HG2' ' CE2' ' A' ' 13' ' ' TYR . 18.1 Cg_endo -75.05 -7.61 19.27 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.503 1.791 . . . . 0.0 110.998 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.566 ' CE2' ' HG2' ' A' ' 12' ' ' PRO . 52.5 m-85 -122.68 139.27 54.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 110.98 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.54 34.49 4.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 109.291 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 17.9 t30 -99.35 -45.73 5.75 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 109.352 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -165.47 156.54 14.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.336 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.539 ' HB3' ' CG ' ' A' ' 6' ' ' TYR . 9.3 p -73.62 -34.11 64.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.993 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 42.9 tt0 -74.6 -22.71 58.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 110.322 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.721 HD13 ' N ' ' A' ' 20' ' ' ALA . 0.4 OUTLIER -65.98 -58.52 5.35 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 109.263 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.721 ' N ' HD13 ' A' ' 19' ' ' LEU . . . -60.98 -32.81 72.35 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.498 1.124 . . . . 0.0 109.281 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' TRP . . . . . 0.565 ' HB2' ' CZ ' ' A' ' 40' ' ' PHE . 7.6 t-105 -68.06 -41.01 82.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 108.005 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 35.8 t0 -66.5 -13.08 60.4 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.462 1.101 . . . . 0.0 109.325 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.414 HG22 ' N ' ' A' ' 24' ' ' CYS . 0.7 OUTLIER -84.61 -55.43 4.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 110.424 179.962 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.433 ' SG ' ' N ' ' A' ' 25' ' ' SER . 0.0 OUTLIER -85.91 -71.59 0.53 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 108.289 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.526 ' HB2' ' CE2' ' A' ' 21' ' ' TRP . 0.1 OUTLIER -79.81 51.96 1.39 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.448 1.093 . . . . 0.0 109.967 -179.962 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -123.51 6.34 9.17 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.489 1.118 . . . . 0.0 111.005 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 98.31 -37.64 3.4 Favored Glycine 0 CA--C 1.53 1.001 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.41 ' O ' ' O ' ' A' ' 23' ' ' THR . 69.6 p -134.82 -174.59 3.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 0.757 . . . . 0.0 110.396 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 91.25 -132.54 11.33 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.426 1.079 . . . . 0.0 111.044 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 42.6 p-10 -100.39 43.98 1.04 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.486 0.756 . . . . 0.0 109.282 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.402 ' SG ' ' O ' ' A' ' 52' ' ' ALA . 0.8 OUTLIER -63.49 125.19 23.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 108.275 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -170.42 179.05 42.78 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.539 1.149 . . . . 0.0 110.965 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.471 ' HA ' ' SG ' ' A' ' 36' ' ' CYS . 91.8 m -85.49 -5.76 59.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 0.765 . . . . 0.0 110.421 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.455 ' O ' ' HB2' ' A' ' 38' ' ' GLN . 53.2 t -79.25 -35.09 16.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.467 1.105 . . . . 0.0 109.317 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -63.06 -14.13 44.38 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.493 1.121 . . . . 0.0 108.3 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.693 ' SG ' ' HB2' ' A' ' 49' ' ' ALA . 81.4 m -55.52 -69.4 0.14 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 108.283 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -97.56 45.4 1.74 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.538 1.149 . . . . 0.0 110.99 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.914 ' O ' HG23 ' A' ' 10' ' ' THR . 0.1 OUTLIER -121.36 -36.21 3.13 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 0.763 . . . . 0.0 110.294 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.403 ' O ' ' N ' ' A' ' 7' ' ' THR . 70.7 m -125.72 -41.06 2.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.548 1.155 . . . . 0.0 108.307 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.565 ' CZ ' ' HB2' ' A' ' 21' ' ' TRP . 0.5 OUTLIER -114.93 179.39 3.96 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.52 1.137 . . . . 0.0 111.002 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.5 ' O ' ' HB ' ' A' ' 44' ' ' VAL . 2.7 m -140.97 158.75 43.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 110.03 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.712 ' CD2' ' HA ' ' A' ' 43' ' ' PRO . 0.2 OUTLIER -55.17 154.93 9.78 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 111.015 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.712 ' HA ' ' CD2' ' A' ' 42' ' ' PHE . 18.4 Cg_endo -74.95 7.88 10.41 Favored 'Cis proline' 0 C--N 1.36 1.136 0 C-N-CA 121.001 -2.499 . . . . 0.0 111.0 -0.029 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.5 ' HB ' ' O ' ' A' ' 41' ' ' SER . 2.1 t -70.6 -38.59 73.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 0.0 109.322 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.545 ' HB3' ' N ' ' A' ' 42' ' ' PHE . 0.2 OUTLIER -52.74 -18.35 1.79 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.13 . . . . 0.0 110.008 -179.967 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.59 ' HB2' ' CE1' ' A' ' 42' ' ' PHE . 4.2 tt0 -87.53 -24.61 24.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.54 1.15 . . . . 0.0 110.285 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . 0.428 ' N ' ' O ' ' A' ' 44' ' ' VAL . 87.2 p -75.27 -38.05 60.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.096 . . . . 0.0 110.019 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . 0.429 ' O ' ' HB2' ' A' ' 52' ' ' ALA . 1.0 OUTLIER -53.18 -65.49 0.55 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.14 . . . . 0.0 108.305 179.977 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.693 ' HB2' ' SG ' ' A' ' 36' ' ' CYS . . . -58.05 -17.4 17.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 109.334 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -80.51 -55.76 3.34 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.491 1.119 . . . . 0.0 110.962 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . 0.5 ' HB3' ' CZ2' ' A' ' 21' ' ' TRP . 0.6 OUTLIER -85.32 15.53 4.3 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.516 0.774 . . . . 0.0 111.04 179.977 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.429 ' HB2' ' O ' ' A' ' 48' ' ' CYS . . . -89.55 22.9 2.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 109.306 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.405 ' O ' ' O ' ' A' ' 52' ' ' ALA . 5.4 m-20 59.54 154.17 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 109.306 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -102.1 -85.96 0.43 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.128 . . . . 0.0 109.999 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 3.5 t30 -98.16 -7.75 28.83 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.52 1.138 . . . . 0.0 109.292 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -74.57 -30.19 61.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.14 . . . . 0.0 109.301 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . 0.439 ' CB ' ' CD ' ' A' ' 58' ' ' PRO . 0.0 OUTLIER -74.84 175.19 4.21 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.137 . . . . 0.0 108.3 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.439 ' CD ' ' CB ' ' A' ' 57' ' ' CYS . 18.5 Cg_endo -74.95 0.6 8.68 Favored 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.538 1.809 . . . . 0.0 111.024 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -79.59 150.96 30.88 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.113 . . . . 0.0 109.31 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.113 . . . . 0.0 109.285 -179.992 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 21.6 m-20 . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -95.95 -39.05 9.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.118 . . . . 0.0 109.279 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 5.4 tm-20 -53.66 -31.21 46.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 110.284 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -74.07 -4.19 34.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 109.32 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.494 ' CB ' HG21 ' A' ' 44' ' ' VAL . 12.5 m-85 -128.17 13.12 6.67 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.14 . . . . 0.0 110.98 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.542 ' CG ' ' HB3' ' A' ' 17' ' ' SER . 4.6 t80 -78.44 142.32 37.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 111.008 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.424 ' OG1' ' CG2' ' A' ' 10' ' ' THR . 38.4 p -125.94 88.22 2.82 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.43 1.081 . . . . 0.0 110.354 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.24 -11.76 44.42 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 110.003 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -68.95 -48.56 62.89 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.458 1.099 . . . . 0.0 110.328 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.946 HG23 ' O ' ' A' ' 38' ' ' GLN . 0.5 OUTLIER -94.21 -29.23 15.21 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.496 1.122 . . . . 0.0 110.376 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.407 ' SG ' ' CB ' ' A' ' 20' ' ' ALA . 6.1 t -64.37 136.4 96.74 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.5 1.125 . . . . 0.0 108.32 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -13.54 21.38 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.47 1.774 . . . . 0.0 110.98 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.588 ' HB3' HD23 ' A' ' 19' ' ' LEU . 99.7 m-85 -111.1 135.98 50.82 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.486 1.116 . . . . 0.0 111.013 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.22 32.57 5.96 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.117 . . . . 0.0 109.273 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.859 ' HB3' HD22 ' A' ' 19' ' ' LEU . 49.5 t30 -95.71 -60.56 1.62 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.544 1.153 . . . . 0.0 109.338 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -165.81 156.04 12.86 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 109.257 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.542 ' HB3' ' CG ' ' A' ' 6' ' ' TYR . 36.3 p -63.91 -34.17 77.36 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 109.998 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 12.2 mt-30 -66.94 -32.57 73.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 110.294 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.859 HD22 ' HB3' ' A' ' 15' ' ' ASN . 7.9 tp -62.79 -64.97 0.76 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 109.313 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.512 ' HB1' ' SG ' ' A' ' 39' ' ' CYS . . . -56.55 -33.56 66.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.547 1.154 . . . . 0.0 109.303 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' TRP . . . . . 0.524 ' CE2' ' HB2' ' A' ' 25' ' ' SER . 19.0 t-105 -66.48 -44.98 81.18 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 107.996 -1.113 . . . . 0.0 107.996 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 11.7 t0 -65.68 -23.59 66.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.272 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.414 ' HB ' ' O ' ' A' ' 20' ' ' ALA . 0.9 OUTLIER -71.03 -64.16 0.96 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 110.421 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.418 ' O ' ' CB ' ' A' ' 31' ' ' CYS . 0.0 OUTLIER -82.64 -60.29 2.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.13 . . . . 0.0 108.306 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.524 ' HB2' ' CE2' ' A' ' 21' ' ' TRP . 0.1 OUTLIER -76.48 54.04 0.9 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 109.97 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -136.64 -127.76 2.65 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.529 1.143 . . . . 0.0 111.007 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -105.28 -53.75 0.77 Allowed Glycine 0 CA--C 1.529 0.961 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 69.1 p -125.94 -152.56 0.52 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 0.743 . . . . 0.0 110.393 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 89.34 -124.67 7.46 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.53 1.144 . . . . 0.0 110.958 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -122.91 58.09 1.1 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 0.782 . . . . 0.0 109.243 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.418 ' CB ' ' O ' ' A' ' 24' ' ' CYS . 10.3 p -76.18 131.69 39.51 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 108.306 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -176.24 -179.55 46.77 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.536 1.148 . . . . 0.0 111.042 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.448 ' HA ' ' SG ' ' A' ' 36' ' ' CYS . 93.8 m -85.1 -4.44 59.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 0.781 . . . . 0.0 110.393 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.486 ' O ' ' HB2' ' A' ' 38' ' ' GLN . 63.0 t -82.49 -34.71 12.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.551 1.157 . . . . 0.0 109.333 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -63.17 -13.3 35.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 108.258 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.674 ' SG ' ' HB2' ' A' ' 49' ' ' ALA . 72.5 m -54.72 -78.24 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 108.321 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -87.07 42.07 3.13 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.558 1.161 . . . . 0.0 111.003 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.946 ' O ' HG23 ' A' ' 10' ' ' THR . 6.4 tp60 -123.06 -41.69 2.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.475 0.75 . . . . 0.0 110.348 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.512 ' SG ' ' HB1' ' A' ' 20' ' ' ALA . 17.6 m -114.32 -30.11 6.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.122 . . . . 0.0 108.283 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.499 ' CZ ' ' HB2' ' A' ' 21' ' ' TRP . 0.3 OUTLIER -133.8 -177.23 4.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.125 . . . . 0.0 110.987 -179.981 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.498 ' O ' ' HB ' ' A' ' 44' ' ' VAL . 3.1 m -140.81 157.49 45.32 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.459 1.1 . . . . 0.0 110.026 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.72 ' CD2' ' HA ' ' A' ' 43' ' ' PRO . 0.2 OUTLIER -55.04 154.7 9.68 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 111.004 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.72 ' HA ' ' CD2' ' A' ' 42' ' ' PHE . 18.3 Cg_endo -75.01 7.59 10.77 Favored 'Cis proline' 0 C--N 1.359 1.122 0 C-N-CA 121.008 -2.496 . . . . 0.0 110.997 0.031 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.498 ' HB ' ' O ' ' A' ' 41' ' ' SER . 2.1 t -70.58 -38.13 72.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.569 1.168 . . . . 0.0 109.327 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.554 ' HB3' ' N ' ' A' ' 42' ' ' PHE . 0.2 OUTLIER -52.56 -18.52 1.77 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.469 1.105 . . . . 0.0 110.02 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.591 ' HB2' ' CE1' ' A' ' 42' ' ' PHE . 1.3 tt0 -87.07 -24.16 24.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 110.28 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . 0.448 ' N ' ' O ' ' A' ' 44' ' ' VAL . 0.8 OUTLIER -75.57 -38.28 59.31 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.534 1.146 . . . . 0.0 110.001 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . 0.413 ' O ' ' HB2' ' A' ' 52' ' ' ALA . 1.4 t -53.45 -65.1 0.62 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.473 1.108 . . . . 0.0 108.327 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.674 ' HB2' ' SG ' ' A' ' 36' ' ' CYS . . . -57.46 -18.78 20.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.344 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -79.57 -56.83 3.26 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.469 1.105 . . . . 0.0 110.999 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . 0.417 ' O ' ' HA ' ' A' ' 25' ' ' SER . 6.1 tpp -86.52 21.97 2.0 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 0.76 . . . . 0.0 110.964 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.413 ' HB2' ' O ' ' A' ' 48' ' ' CYS . . . -85.86 44.15 1.1 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.131 . . . . 0.0 109.3 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.428 ' OD1' ' N ' ' A' ' 54' ' ' SER . 37.4 t0 54.29 170.84 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.122 . . . . 0.0 109.296 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.428 ' N ' ' OD1' ' A' ' 53' ' ' ASP . 0.4 OUTLIER -103.92 -90.36 0.38 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.123 . . . . 0.0 110.008 179.953 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -115.04 -9.36 12.37 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.506 1.129 . . . . 0.0 109.285 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -74.54 -3.67 32.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 109.296 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . 0.426 ' N ' ' OD2' ' A' ' 53' ' ' ASP . 0.0 OUTLIER -84.9 154.91 61.37 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.132 . . . . 0.0 108.304 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 55.85 4.1 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.481 1.78 . . . . 0.0 110.985 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 61.3 m-20 -91.56 162.54 14.48 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.526 1.141 . . . . 0.0 109.268 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.123 . . . . 0.0 109.287 179.979 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 1.5 p30 . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 1.6 pt -105.78 -42.45 6.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 109.335 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -54.0 -27.28 30.76 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.488 1.118 . . . . 0.0 110.274 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -74.57 -9.35 58.49 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.511 1.132 . . . . 0.0 109.316 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.494 ' CG ' HG21 ' A' ' 44' ' ' VAL . 13.9 m-85 -123.88 16.4 9.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.111 . . . . 0.0 111.03 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.553 ' CG ' ' HB2' ' A' ' 17' ' ' SER . 3.2 t80 -78.2 116.39 18.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 111.002 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.454 ' OG1' ' CG2' ' A' ' 10' ' ' THR . 7.2 p -105.27 90.64 3.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 110.383 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -68.6 -8.85 45.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.982 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.37 -51.3 38.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 110.294 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.943 HG23 ' O ' ' A' ' 38' ' ' GLN . 0.8 OUTLIER -91.52 -27.7 18.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 110.401 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.428 ' SG ' ' HD2' ' A' ' 12' ' ' PRO . 7.4 t -63.96 137.22 97.04 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.51 1.131 . . . . 0.0 108.337 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.428 ' HD2' ' SG ' ' A' ' 11' ' ' CYS . 18.2 Cg_endo -75.01 -24.55 12.69 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.51 1.795 . . . . 0.0 111.004 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 63.7 m-85 -109.1 -179.51 3.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 111.017 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.432 ' HG2' ' N ' ' A' ' 15' ' ' ASN . 0.0 OUTLIER -153.41 -142.42 0.12 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.443 1.09 . . . . 0.0 109.283 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.432 ' N ' ' HG2' ' A' ' 14' ' ' LYS . 1.0 OUTLIER 72.16 -68.76 0.21 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 109.277 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -142.75 156.78 45.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.15 . . . . 0.0 109.346 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.553 ' HB2' ' CG ' ' A' ' 6' ' ' TYR . 11.5 t -75.77 -31.85 59.69 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.507 1.129 . . . . 0.0 110.021 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 15.6 tt0 -65.51 -17.3 64.46 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.547 1.155 . . . . 0.0 110.31 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 43.6 tp -70.45 -64.95 0.8 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.542 1.151 . . . . 0.0 109.299 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.405 ' CB ' ' SG ' ' A' ' 11' ' ' CYS . . . -58.14 -32.03 67.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 109.326 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' TRP . . . . . 0.521 ' HB2' ' CZ ' ' A' ' 40' ' ' PHE . 6.0 t-105 -70.77 -37.56 73.38 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.099 . . . . 0.0 108.044 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -64.74 -13.23 54.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 109.296 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.408 ' O ' ' O ' ' A' ' 28' ' ' THR . 0.9 OUTLIER -91.03 -66.25 0.94 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.44 1.088 . . . . 0.0 110.34 -179.95 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.444 ' SG ' ' N ' ' A' ' 25' ' ' SER . 0.0 OUTLIER -67.52 -71.72 0.2 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 108.318 -179.956 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.514 ' OG ' ' CD2' ' A' ' 21' ' ' TRP . 0.0 OUTLIER -80.98 51.67 1.61 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.439 1.087 . . . . 0.0 109.993 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -120.75 4.75 11.69 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.502 1.126 . . . . 0.0 110.995 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.402 ' O ' ' OD2' ' A' ' 53' ' ' ASP . . . 99.64 -35.87 4.45 Favored Glycine 0 CA--C 1.531 1.033 0 N-CA-C 111.019 -0.832 . . . . 0.0 111.019 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.408 ' O ' ' O ' ' A' ' 23' ' ' THR . 42.7 p -135.46 -164.08 1.48 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.541 0.789 . . . . 0.0 110.382 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 85.59 -131.45 10.47 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.472 1.108 . . . . 0.0 110.989 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 44.9 p-10 -103.27 40.4 1.41 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.523 0.778 . . . . 0.0 109.308 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -59.09 138.55 57.5 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 108.29 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 170.63 -179.5 42.62 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.518 1.136 . . . . 0.0 111.011 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.416 ' O ' ' SG ' ' A' ' 36' ' ' CYS . 59.6 m -81.33 -5.01 57.38 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.562 0.801 . . . . 0.0 110.447 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.42 ' O ' ' HB2' ' A' ' 38' ' ' GLN . 69.0 t -73.98 -42.07 52.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 109.271 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -63.06 -14.68 51.14 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.473 1.108 . . . . 0.0 108.272 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.552 ' SG ' ' N ' ' A' ' 37' ' ' GLY . 0.5 OUTLIER -55.86 -53.33 58.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.105 . . . . 0.0 108.24 -179.957 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.552 ' N ' ' SG ' ' A' ' 36' ' ' CYS . . . -114.36 42.99 1.79 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.517 1.136 . . . . 0.0 111.015 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.943 ' O ' HG23 ' A' ' 10' ' ' THR . 24.1 tp60 -119.79 -40.35 2.76 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.447 0.734 . . . . 0.0 110.33 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 92.2 m -122.5 -37.29 2.8 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.539 1.149 . . . . 0.0 108.297 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.521 ' CZ ' ' HB2' ' A' ' 21' ' ' TRP . 0.6 OUTLIER -118.64 -176.87 3.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 110.984 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.528 ' O ' ' HB ' ' A' ' 44' ' ' VAL . 0.0 OUTLIER -148.17 156.03 42.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 109.979 -179.974 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.723 ' CD2' ' HA ' ' A' ' 43' ' ' PRO . 0.2 OUTLIER -54.06 154.71 7.34 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 111.043 179.948 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.723 ' HA ' ' CD2' ' A' ' 42' ' ' PHE . 18.4 Cg_endo -75.01 8.7 9.87 Favored 'Cis proline' 0 C--N 1.36 1.152 0 C-N-CA 120.999 -2.501 . . . . 0.0 110.965 0.02 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.528 ' HB ' ' O ' ' A' ' 41' ' ' SER . 2.4 t -70.06 -39.92 77.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.098 . . . . 0.0 109.298 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.493 ' HB3' ' N ' ' A' ' 42' ' ' PHE . 0.1 OUTLIER -51.72 -20.44 2.11 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.548 1.155 . . . . 0.0 109.968 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.581 ' HB2' ' CE1' ' A' ' 42' ' ' PHE . 10.4 tt0 -80.99 -32.22 34.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 110.26 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 17.7 p -76.03 -37.75 58.01 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 110.028 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . 0.448 ' O ' ' HB2' ' A' ' 52' ' ' ALA . 0.1 OUTLIER -54.2 -55.62 26.25 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.134 . . . . 0.0 108.344 179.948 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -68.76 -17.91 64.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.139 . . . . 0.0 109.285 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -77.58 -52.37 5.54 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.466 1.104 . . . . 0.0 110.986 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . 0.443 ' CB ' ' CZ2' ' A' ' 21' ' ' TRP . 0.8 OUTLIER -84.99 13.87 5.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 0.762 . . . . 0.0 110.99 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.448 ' HB2' ' O ' ' A' ' 48' ' ' CYS . . . -91.12 31.25 1.12 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.301 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.402 ' OD2' ' O ' ' A' ' 27' ' ' GLY . 2.8 m-20 57.6 161.53 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.315 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -100.26 -86.39 0.39 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.453 1.096 . . . . 0.0 109.992 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -105.21 -7.16 19.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 109.285 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 13.7 t0 -74.3 -18.38 60.72 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.512 1.133 . . . . 0.0 109.276 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . 0.419 ' CB ' ' CD ' ' A' ' 58' ' ' PRO . 0.0 OUTLIER -76.08 174.6 5.34 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.459 1.099 . . . . 0.0 108.319 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.419 ' CD ' ' CB ' ' A' ' 57' ' ' CYS . 18.1 Cg_endo -75.05 0.1 9.34 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.506 1.793 . . . . 0.0 110.975 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 23.5 m120 -81.91 148.83 28.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 109.32 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 109.3 -179.998 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 81.3 m-20 . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -110.9 -35.67 2.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 109.272 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -55.85 -32.22 63.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.11 . . . . 0.0 110.303 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -74.05 -4.42 35.35 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.112 . . . . 0.0 109.333 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 20.6 m-85 -128.0 18.06 6.66 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 0.0 111.014 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.538 ' CG ' ' HB3' ' A' ' 17' ' ' SER . 5.0 t80 -78.73 134.83 37.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 111.016 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.465 ' N ' ' O ' ' A' ' 39' ' ' CYS . 19.6 p -121.82 89.22 3.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.45 1.094 . . . . 0.0 110.443 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -67.44 -9.63 43.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.987 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -68.46 -50.73 50.35 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.132 . . . . 0.0 110.27 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.901 HG23 ' O ' ' A' ' 38' ' ' GLN . 0.6 OUTLIER -93.94 -28.71 15.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 110.426 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.502 ' SG ' ' CB ' ' A' ' 20' ' ' ALA . 7.9 t -64.55 137.67 97.21 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 108.299 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.569 ' HG2' ' CE2' ' A' ' 13' ' ' TYR . 18.3 Cg_endo -74.99 -4.21 15.07 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.511 1.795 . . . . 0.0 111.0 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.569 ' CE2' ' HG2' ' A' ' 12' ' ' PRO . 28.2 m-85 -124.21 149.23 46.61 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.576 1.172 . . . . 0.0 111.003 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.453 ' HD3' ' N ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -139.32 27.77 2.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 0.0 109.3 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -94.92 -43.68 8.07 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.448 1.092 . . . . 0.0 109.334 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -165.49 155.03 12.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 109.268 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.538 ' HB3' ' CG ' ' A' ' 6' ' ' TYR . 1.8 p -72.99 -33.79 66.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.967 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 76.1 mt-30 -73.1 -26.91 61.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 110.296 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.731 HD13 ' N ' ' A' ' 20' ' ' ALA . 0.3 OUTLIER -62.73 -57.4 11.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 0.0 109.325 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.731 ' N ' HD13 ' A' ' 19' ' ' LEU . . . -61.1 -34.41 74.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 109.312 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' TRP . . . . . 0.543 ' HB2' ' CZ ' ' A' ' 40' ' ' PHE . 9.5 t-105 -68.03 -43.69 78.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.133 . . . . 0.0 107.992 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -65.49 -14.0 60.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.113 . . . . 0.0 109.292 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.511 HG22 ' N ' ' A' ' 24' ' ' CYS . 0.6 OUTLIER -80.44 -58.0 3.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.44 1.088 . . . . 0.0 110.385 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.511 ' N ' HG22 ' A' ' 23' ' ' THR . 0.0 OUTLIER -87.31 -68.38 0.76 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.13 . . . . 0.0 108.303 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.533 ' HB2' ' CE2' ' A' ' 21' ' ' TRP . 0.1 OUTLIER -80.32 51.89 1.5 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.115 . . . . 0.0 109.981 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -125.94 5.25 7.89 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.486 1.116 . . . . 0.0 111.019 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.407 ' O ' ' SG ' ' A' ' 57' ' ' CYS . . . 104.87 -45.56 1.29 Allowed Glycine 0 CA--C 1.531 1.057 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 81.9 p -130.05 -171.65 2.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 0.776 . . . . 0.0 110.406 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 94.04 -130.67 10.41 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.507 1.129 . . . . 0.0 111.035 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 5.8 p30 -103.1 37.36 1.99 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 0.786 . . . . 0.0 109.296 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.4 ' SG ' ' O ' ' A' ' 52' ' ' ALA . 0.7 OUTLIER -54.9 133.78 48.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 108.284 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 179.48 177.95 48.09 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.501 1.126 . . . . 0.0 110.991 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.453 ' HA ' ' SG ' ' A' ' 36' ' ' CYS . 96.2 m -85.16 -5.41 59.33 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.522 0.778 . . . . 0.0 110.401 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.466 ' O ' ' HB2' ' A' ' 38' ' ' GLN . 97.5 t -81.34 -34.22 13.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.484 1.115 . . . . 0.0 109.285 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -62.77 -14.67 47.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.149 . . . . 0.0 108.343 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.667 ' SG ' ' HB2' ' A' ' 49' ' ' ALA . 61.4 m -55.99 -76.47 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.548 1.155 . . . . 0.0 108.302 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -88.1 44.14 3.19 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.498 1.124 . . . . 0.0 111.025 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.901 ' O ' HG23 ' A' ' 10' ' ' THR . 3.8 tt0 -121.09 -35.17 3.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 0.777 . . . . 0.0 110.32 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.465 ' O ' ' N ' ' A' ' 7' ' ' THR . 71.1 m -126.55 -44.13 1.7 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.123 . . . . 0.0 108.297 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.543 ' CZ ' ' HB2' ' A' ' 21' ' ' TRP . 0.4 OUTLIER -112.74 178.61 4.23 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 0.0 110.955 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.496 ' O ' ' HB ' ' A' ' 44' ' ' VAL . 1.2 p -139.27 158.06 44.83 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.522 1.139 . . . . 0.0 109.959 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.706 ' CD2' ' HA ' ' A' ' 43' ' ' PRO . 0.2 OUTLIER -54.75 154.83 8.71 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 111.039 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.706 ' HA ' ' CD2' ' A' ' 42' ' ' PHE . 18.4 Cg_endo -74.99 7.82 10.53 Favored 'Cis proline' 0 C--N 1.359 1.114 0 C-N-CA 120.991 -2.504 . . . . 0.0 111.036 0.021 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.496 ' HB ' ' O ' ' A' ' 41' ' ' SER . 2.1 t -70.43 -38.68 74.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 109.358 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.543 ' HB3' ' N ' ' A' ' 42' ' ' PHE . 0.2 OUTLIER -52.73 -18.62 1.92 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 0.0 110.007 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.602 ' HB2' ' CE1' ' A' ' 42' ' ' PHE . 3.7 tt0 -86.5 -24.62 25.49 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.524 1.14 . . . . 0.0 110.296 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.7 m -75.25 -37.81 60.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 110.002 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . 0.499 ' O ' ' HB2' ' A' ' 52' ' ' ALA . 0.8 OUTLIER -53.86 -63.05 1.27 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 108.296 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.667 ' HB2' ' SG ' ' A' ' 36' ' ' CYS . . . -60.49 -15.93 31.86 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.117 . . . . 0.0 109.325 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -82.48 -55.53 3.01 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.438 1.086 . . . . 0.0 110.998 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . 0.519 ' CB ' ' CZ2' ' A' ' 21' ' ' TRP . 0.0 OUTLIER -85.38 15.05 4.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 0.785 . . . . 0.0 111.039 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.499 ' HB2' ' O ' ' A' ' 48' ' ' CYS . . . -89.25 21.54 3.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 109.266 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.422 ' O ' ' O ' ' A' ' 52' ' ' ALA . 7.5 m-20 59.53 152.47 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.12 . . . . 0.0 109.244 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -105.68 -85.76 0.48 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.519 1.137 . . . . 0.0 110.013 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 3.3 t30 -90.32 -11.7 39.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 109.315 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -74.71 -30.37 61.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 109.31 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . 0.407 ' SG ' ' O ' ' A' ' 27' ' ' GLY . 0.1 OUTLIER -81.85 170.26 15.7 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 108.29 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 56.48 4.24 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.469 1.773 . . . . 0.0 111.041 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -99.87 -158.8 0.7 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 109.285 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.33 179.999 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -84.65 -30.71 7.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.13 . . . . 0.0 109.326 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -60.32 -31.0 69.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 0.0 110.3 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 79.1 m-20 -74.11 -5.08 39.52 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.482 1.114 . . . . 0.0 109.306 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 16.3 m-85 -127.41 14.24 7.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 0.0 111.033 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.557 ' CG ' ' HB3' ' A' ' 17' ' ' SER . 4.2 t80 -78.46 128.78 34.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 110.98 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 10.2 p -114.95 89.71 3.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 110.41 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 38.2 t -71.38 -5.29 31.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 109.992 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -73.25 -48.14 37.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 110.295 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.882 HG23 ' O ' ' A' ' 38' ' ' GLN . 0.6 OUTLIER -97.52 -26.32 14.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 110.381 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.406 ' SG ' ' CB ' ' A' ' 20' ' ' ALA . 15.5 t -64.54 136.29 96.71 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.145 . . . . 0.0 108.316 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.405 ' HD2' ' SG ' ' A' ' 11' ' ' CYS . 18.4 Cg_endo -75.0 -20.6 16.71 Favored 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.53 1.805 . . . . 0.0 110.967 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.566 ' HB2' ' HB2' ' A' ' 20' ' ' ALA . 84.4 m-85 -101.48 178.22 4.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 111.006 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.461 ' O ' HD23 ' A' ' 19' ' ' LEU . 0.8 OUTLIER -155.75 -159.28 0.89 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.313 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.444 ' N ' ' HD2' ' A' ' 14' ' ' LYS . 1.6 t30 77.27 -67.58 0.2 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 109.284 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -143.05 160.33 40.58 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.45 1.094 . . . . 0.0 109.296 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.557 ' HB3' ' CG ' ' A' ' 6' ' ' TYR . 79.4 p -77.59 -31.4 53.03 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.5 1.125 . . . . 0.0 110.046 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 19.0 mt-30 -65.11 -18.85 65.65 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.512 1.132 . . . . 0.0 110.308 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.461 HD23 ' O ' ' A' ' 14' ' ' LYS . 52.6 tp -69.45 -55.18 11.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.295 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.566 ' HB2' ' HB2' ' A' ' 13' ' ' TYR . . . -67.94 -34.19 76.11 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.546 1.154 . . . . 0.0 109.329 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' TRP . . . . . 0.584 ' CZ2' ' CB ' ' A' ' 51' ' ' MET . 7.4 t-105 -68.69 -37.85 79.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.106 . . . . 0.0 108.025 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -65.11 -14.95 61.8 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 109.328 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.645 HG22 ' N ' ' A' ' 24' ' ' CYS . 0.7 OUTLIER -84.96 -68.7 0.7 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.13 . . . . 0.0 110.383 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.645 ' N ' HG22 ' A' ' 23' ' ' THR . 0.0 OUTLIER -70.14 -71.62 0.23 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.462 1.101 . . . . 0.0 108.287 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.527 ' HB2' ' CE2' ' A' ' 21' ' ' TRP . 0.1 OUTLIER -77.83 52.73 1.06 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 109.977 180.0 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -125.93 3.93 7.94 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.523 1.139 . . . . 0.0 110.988 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.404 ' O ' ' SG ' ' A' ' 57' ' ' CYS . . . 105.17 -41.43 2.16 Favored Glycine 0 CA--C 1.53 0.987 0 N-CA-C 111.016 -0.833 . . . . 0.0 111.016 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.401 ' O ' ' O ' ' A' ' 23' ' ' THR . 62.3 p -132.0 -159.33 0.96 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.561 0.801 . . . . 0.0 110.398 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 84.39 -127.51 8.16 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.475 1.109 . . . . 0.0 111.025 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 1.3 p-10 -109.66 43.36 1.33 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 0.756 . . . . 0.0 109.331 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.402 ' SG ' ' O ' ' A' ' 52' ' ' ALA . 0.7 OUTLIER -61.39 131.2 49.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 108.3 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -177.21 -177.75 46.36 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.474 1.109 . . . . 0.0 110.997 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.457 ' HA ' ' SG ' ' A' ' 36' ' ' CYS . 96.5 m -85.14 -6.28 59.3 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 0.774 . . . . 0.0 110.388 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.5 ' O ' ' HB2' ' A' ' 38' ' ' GLN . 70.6 t -81.43 -34.28 13.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 0.0 109.323 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -62.79 -18.56 62.91 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.458 1.099 . . . . 0.0 108.326 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.734 ' SG ' ' HB2' ' A' ' 49' ' ' ALA . 63.4 m -54.64 -77.14 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.119 . . . . 0.0 108.296 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -87.11 48.0 3.76 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.518 1.136 . . . . 0.0 110.991 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.882 ' O ' HG23 ' A' ' 10' ' ' THR . 2.5 tp60 -120.98 -50.23 2.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 0.769 . . . . 0.0 110.321 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.404 ' SG ' ' HD2' ' A' ' 12' ' ' PRO . 75.4 m -115.05 -34.74 4.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.559 1.162 . . . . 0.0 108.326 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.559 ' CZ ' ' HB2' ' A' ' 21' ' ' TRP . 0.9 OUTLIER -118.74 177.28 4.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 110.963 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.489 ' O ' ' HB ' ' A' ' 44' ' ' VAL . 0.3 OUTLIER -140.8 158.9 43.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.532 1.145 . . . . 0.0 109.967 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.712 ' CD2' ' HA ' ' A' ' 43' ' ' PRO . 0.2 OUTLIER -55.05 154.85 9.43 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 110.982 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.712 ' HA ' ' CD2' ' A' ' 42' ' ' PHE . 18.4 Cg_endo -74.96 7.58 10.67 Favored 'Cis proline' 0 C--N 1.36 1.17 0 C-N-CA 121.01 -2.496 . . . . 0.0 111.019 -0.027 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.489 ' HB ' ' O ' ' A' ' 41' ' ' SER . 2.1 t -70.56 -38.21 72.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 109.299 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.553 ' HB3' ' N ' ' A' ' 42' ' ' PHE . 0.2 OUTLIER -52.33 -18.78 1.73 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.43 1.081 . . . . 0.0 110.01 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.601 ' HB2' ' CE1' ' A' ' 42' ' ' PHE . 10.4 tt0 -86.6 -25.38 24.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.451 1.094 . . . . 0.0 110.298 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . 0.421 ' N ' ' O ' ' A' ' 44' ' ' VAL . 3.4 m -75.45 -37.49 60.31 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 0.0 110.024 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . 0.404 ' SG ' ' N ' ' A' ' 36' ' ' CYS . 0.1 OUTLIER -53.74 -65.22 0.6 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 108.315 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.734 ' HB2' ' SG ' ' A' ' 36' ' ' CYS . . . -58.8 -16.84 18.94 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 109.286 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -80.93 -54.24 3.69 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.504 1.128 . . . . 0.0 111.018 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . 0.584 ' CB ' ' CZ2' ' A' ' 21' ' ' TRP . 0.0 OUTLIER -85.35 15.51 4.34 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 0.747 . . . . 0.0 110.962 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.402 ' O ' ' SG ' ' A' ' 31' ' ' CYS . . . -89.49 22.74 2.84 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.474 1.109 . . . . 0.0 109.234 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.401 ' O ' ' O ' ' A' ' 52' ' ' ALA . 2.3 m-20 60.11 151.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.154 . . . . 0.0 109.274 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -103.37 -86.08 0.44 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 110.002 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 5.3 t-20 -89.29 -11.71 42.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 109.284 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -75.0 -32.56 61.68 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 109.324 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . 0.404 ' SG ' ' O ' ' A' ' 27' ' ' GLY . 0.1 OUTLIER -75.81 160.4 78.94 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.139 . . . . 0.0 108.277 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 55.49 3.97 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.467 1.772 . . . . 0.0 110.982 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 28.4 m120 -91.04 165.12 13.69 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.476 1.11 . . . . 0.0 109.306 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.442 1.089 . . . . 0.0 109.296 179.981 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 5.7 t70 . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -91.66 -35.09 6.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.33 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.61 -30.58 63.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.549 1.156 . . . . 0.0 110.288 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 37.5 m-20 -74.06 -4.79 37.67 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.481 1.113 . . . . 0.0 109.32 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 12.3 m-85 -126.87 17.55 7.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.554 1.159 . . . . 0.0 110.985 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.527 ' CG ' ' HB3' ' A' ' 17' ' ' SER . 5.0 t80 -78.61 128.44 33.5 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.52 1.138 . . . . 0.0 110.992 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.408 ' N ' ' O ' ' A' ' 39' ' ' CYS . 9.8 p -116.55 91.29 3.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.553 1.158 . . . . 0.0 110.399 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.401 ' OG ' ' HA ' ' A' ' 14' ' ' LYS . 0.1 OUTLIER -70.9 -5.83 33.7 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 110.011 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -71.63 -43.91 65.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.447 1.092 . . . . 0.0 110.311 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.929 HG23 ' O ' ' A' ' 38' ' ' GLN . 0.4 OUTLIER -102.05 -27.88 12.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 0.0 110.388 -179.96 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.488 ' SG ' ' CB ' ' A' ' 20' ' ' ALA . 8.4 t -64.61 137.48 97.15 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 108.284 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.536 ' HG2' ' CE2' ' A' ' 13' ' ' TYR . 18.3 Cg_endo -74.97 -5.19 16.48 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.52 1.8 . . . . 0.0 111.042 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.577 ' HB3' HD12 ' A' ' 19' ' ' LEU . 24.7 m-85 -122.75 148.65 45.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.135 . . . . 0.0 110.977 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.463 ' HD3' ' N ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -140.01 28.35 2.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.113 . . . . 0.0 109.303 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -96.96 -42.64 7.82 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 109.287 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -165.51 152.4 10.24 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.528 1.142 . . . . 0.0 109.313 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.527 ' HB3' ' CG ' ' A' ' 6' ' ' TYR . 1.6 p -71.42 -35.26 70.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 109.971 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.407 ' O ' ' N ' ' A' ' 22' ' ' ASP . 5.2 mt-30 -70.93 -27.25 63.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 110.294 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.72 HD13 ' N ' ' A' ' 20' ' ' ALA . 0.3 OUTLIER -62.53 -57.31 11.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.547 1.154 . . . . 0.0 109.339 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.72 ' N ' HD13 ' A' ' 19' ' ' LEU . . . -59.89 -34.23 72.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 0.0 109.294 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' TRP . . . . . 0.59 ' CZ2' ' CB ' ' A' ' 51' ' ' MET . 7.1 t-105 -70.68 -40.08 73.15 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 107.987 -1.116 . . . . 0.0 107.987 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.407 ' N ' ' O ' ' A' ' 18' ' ' GLN . 0.4 OUTLIER -64.6 -13.44 53.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 109.264 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.688 HG22 ' N ' ' A' ' 24' ' ' CYS . 0.7 OUTLIER -83.99 -70.15 0.59 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 110.408 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.688 ' N ' HG22 ' A' ' 23' ' ' THR . 0.0 OUTLIER -70.25 -70.53 0.29 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 108.314 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.446 ' N ' ' SG ' ' A' ' 24' ' ' CYS . 0.0 OUTLIER -77.42 52.1 0.92 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 109.989 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -126.67 -0.84 7.16 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.469 1.106 . . . . 0.0 110.983 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 101.31 -46.23 1.31 Allowed Glycine 0 CA--C 1.531 1.043 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.411 ' O ' ' O ' ' A' ' 23' ' ' THR . 75.7 p -122.26 -171.74 2.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 0.776 . . . . 0.0 110.434 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 91.96 -105.83 3.33 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.474 1.109 . . . . 0.0 111.004 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 1.1 p-10 -140.94 51.94 1.61 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 0.748 . . . . 0.0 109.3 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.504 ' CB ' ' O ' ' A' ' 24' ' ' CYS . 1.2 p -67.07 141.88 57.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.558 1.161 . . . . 0.0 108.279 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 179.75 -179.43 48.83 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.493 1.121 . . . . 0.0 110.978 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.471 ' HA ' ' SG ' ' A' ' 36' ' ' CYS . 52.5 m -85.41 -5.98 59.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 0.77 . . . . 0.0 110.425 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.452 ' O ' ' HB2' ' A' ' 38' ' ' GLN . 60.4 t -79.64 -35.68 16.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.272 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -62.7 -14.75 47.79 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.134 . . . . 0.0 108.334 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.706 ' SG ' ' HB2' ' A' ' 49' ' ' ALA . 85.0 m -55.84 -68.33 0.21 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 108.303 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -98.22 45.84 1.62 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.437 1.086 . . . . 0.0 111.002 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.929 ' O ' HG23 ' A' ' 10' ' ' THR . 8.1 tp60 -121.28 -36.8 3.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 0.762 . . . . 0.0 110.296 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.427 ' HA ' ' HB2' ' A' ' 11' ' ' CYS . 71.8 m -125.46 -39.43 2.18 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 108.275 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.562 ' CZ ' ' HB2' ' A' ' 21' ' ' TRP . 0.6 OUTLIER -116.3 177.98 4.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 111.023 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.513 ' O ' ' HB ' ' A' ' 44' ' ' VAL . 0.0 OUTLIER -139.94 158.02 44.75 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 110.017 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.696 ' CD2' ' HA ' ' A' ' 43' ' ' PRO . 0.2 OUTLIER -55.05 154.86 9.42 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 110.982 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.696 ' HA ' ' CD2' ' A' ' 42' ' ' PHE . 18.2 Cg_endo -75.01 8.35 10.14 Favored 'Cis proline' 0 C--N 1.36 1.172 0 C-N-CA 121.035 -2.485 . . . . 0.0 110.959 0.004 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.513 ' HB ' ' O ' ' A' ' 41' ' ' SER . 2.1 t -70.91 -38.52 72.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.537 1.148 . . . . 0.0 109.288 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.545 ' HB3' ' N ' ' A' ' 42' ' ' PHE . 0.1 OUTLIER -52.73 -18.42 1.82 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.464 1.103 . . . . 0.0 109.966 -179.945 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.584 ' HB2' ' CE1' ' A' ' 42' ' ' PHE . 0.5 OUTLIER -87.59 -25.01 23.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.531 1.145 . . . . 0.0 110.294 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . 0.435 ' N ' ' O ' ' A' ' 44' ' ' VAL . 3.9 m -75.19 -37.53 61.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 110.022 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -53.15 -68.16 0.19 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.471 1.107 . . . . 0.0 108.319 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.706 ' HB2' ' SG ' ' A' ' 36' ' ' CYS . . . -55.36 -19.38 8.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.101 . . . . 0.0 109.288 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -78.03 -52.78 5.16 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.507 1.129 . . . . 0.0 111.005 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . 0.59 ' CB ' ' CZ2' ' A' ' 21' ' ' TRP . 0.0 OUTLIER -85.65 16.89 3.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 0.765 . . . . 0.0 111.011 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.407 ' O ' ' O ' ' A' ' 53' ' ' ASP . . . -88.84 20.19 3.66 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.46 1.1 . . . . 0.0 109.334 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.469 ' OD1' ' N ' ' A' ' 54' ' ' SER . 0.3 OUTLIER 50.12 -179.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 109.305 -179.971 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.469 ' N ' ' OD1' ' A' ' 53' ' ' ASP . 0.6 OUTLIER -119.42 -81.77 0.64 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 110.029 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -93.46 -4.97 50.27 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 0.0 109.309 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.466 ' N ' ' OD1' ' A' ' 56' ' ' ASP . 0.0 OUTLIER -73.38 -16.95 61.32 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.508 1.13 . . . . 0.0 109.333 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . 0.457 ' N ' ' OD1' ' A' ' 53' ' ' ASP . 0.1 OUTLIER -85.24 151.71 57.12 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 108.356 179.964 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 57.25 4.53 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.473 1.775 . . . . 0.0 110.966 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 95.3 m-20 -102.29 -178.74 3.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.556 1.16 . . . . 0.0 109.263 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.447 1.092 . . . . 0.0 109.344 179.953 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 109.319 -0.622 . . . . 0.0 109.319 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -97.11 -35.5 5.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 109.303 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -54.25 -29.53 47.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 110.298 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -74.69 -11.22 60.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 109.269 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.674 ' CG ' HG21 ' A' ' 44' ' ' VAL . 20.7 m-85 -122.58 17.25 10.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.145 . . . . 0.0 110.998 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.516 ' CD2' ' HB3' ' A' ' 17' ' ' SER . 1.1 t80 -78.07 115.71 18.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.115 . . . . 0.0 110.993 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.402 ' O ' ' HB2' ' A' ' 11' ' ' CYS . 69.7 p -98.83 83.85 3.01 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.571 1.169 . . . . 0.0 110.362 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -67.89 -7.65 30.01 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.537 1.148 . . . . 0.0 110.019 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -72.32 -53.98 10.83 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 110.289 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.847 HG23 ' O ' ' A' ' 38' ' ' GLN . 0.1 OUTLIER -90.54 -27.83 18.91 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 110.339 -179.942 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.481 ' SG ' ' CB ' ' A' ' 20' ' ' ALA . 10.9 t -64.18 136.47 96.76 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.125 . . . . 0.0 108.274 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.406 ' HD2' ' SG ' ' A' ' 11' ' ' CYS . 18.3 Cg_endo -74.99 -3.93 14.66 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.546 1.814 . . . . 0.0 111.004 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.41 ' HB2' ' HB2' ' A' ' 20' ' ' ALA . 73.1 m-85 -118.67 163.84 16.24 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 111.034 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.417 ' HD3' ' N ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -155.12 25.19 0.42 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 109.325 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.549 ' O ' ' CB ' ' A' ' 16' ' ' ASP . 13.0 m-20 -117.37 63.65 0.73 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 109.295 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.549 ' CB ' ' O ' ' A' ' 15' ' ' ASN . 4.4 t0 85.43 133.93 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.258 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.516 ' HB3' ' CD2' ' A' ' 6' ' ' TYR . 68.6 p -63.88 -27.89 69.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 110.028 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 49.9 mt-30 -64.37 -17.79 64.06 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.537 1.148 . . . . 0.0 110.28 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 64.7 tp -75.76 -62.28 1.64 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.543 1.152 . . . . 0.0 109.348 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.481 ' CB ' ' SG ' ' A' ' 11' ' ' CYS . . . -61.6 -30.96 71.02 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.518 1.137 . . . . 0.0 109.278 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' TRP . . . . . 0.53 ' CE2' ' HB2' ' A' ' 25' ' ' SER . 6.5 t-105 -73.91 -38.98 64.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 107.978 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -66.11 -11.27 47.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 0.0 109.33 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.679 HG22 ' N ' ' A' ' 24' ' ' CYS . 0.8 OUTLIER -86.87 -73.62 0.46 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 110.401 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.679 ' N ' HG22 ' A' ' 23' ' ' THR . 0.0 OUTLIER -67.91 -60.03 2.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 108.282 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.53 ' HB2' ' CE2' ' A' ' 21' ' ' TRP . 0.0 OUTLIER -78.88 52.31 1.23 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.493 1.12 . . . . 0.0 109.995 -179.975 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -134.41 -135.01 3.47 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.489 1.118 . . . . 0.0 111.045 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -105.07 -44.01 1.56 Allowed Glycine 0 CA--C 1.529 0.942 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 75.2 p -130.48 -159.24 0.95 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.475 0.75 . . . . 0.0 110.375 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 92.99 -115.83 4.98 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.514 1.134 . . . . 0.0 111.028 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -136.11 64.86 1.55 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.521 0.777 . . . . 0.0 109.273 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.438 ' CB ' ' O ' ' A' ' 24' ' ' CYS . 10.4 p -78.78 137.59 37.81 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.112 . . . . 0.0 108.325 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 173.41 -175.07 46.22 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.515 1.134 . . . . 0.0 111.0 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.421 ' O ' ' SG ' ' A' ' 36' ' ' CYS . 65.3 m -84.9 -4.47 59.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 0.767 . . . . 0.0 110.402 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.433 ' O ' ' HB2' ' A' ' 38' ' ' GLN . 74.1 t -74.2 -44.19 49.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 109.287 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -63.15 -14.7 51.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.553 1.158 . . . . 0.0 108.298 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.549 ' SG ' ' N ' ' A' ' 37' ' ' GLY . 0.5 OUTLIER -54.77 -53.08 59.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 108.34 179.988 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.549 ' N ' ' SG ' ' A' ' 36' ' ' CYS . . . -113.79 41.8 2.11 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.492 1.12 . . . . 0.0 111.013 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.847 ' O ' HG23 ' A' ' 10' ' ' THR . 5.3 tp60 -119.98 -50.09 2.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 0.767 . . . . 0.0 110.311 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.401 ' SG ' ' HD2' ' A' ' 12' ' ' PRO . 87.8 m -111.78 -23.24 10.71 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.491 1.119 . . . . 0.0 108.279 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.425 ' O ' ' O ' ' A' ' 36' ' ' CYS . 0.7 OUTLIER -135.34 -176.17 4.18 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.132 . . . . 0.0 110.94 180.0 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.498 ' C ' ' H ' ' A' ' 45' ' ' SER . 0.9 OUTLIER -150.54 157.13 42.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 110.001 -179.972 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.746 ' CD2' ' HA ' ' A' ' 43' ' ' PRO . 0.2 OUTLIER -54.45 154.61 8.39 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.547 1.155 . . . . 0.0 111.005 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.746 ' HA ' ' CD2' ' A' ' 42' ' ' PHE . 18.4 Cg_endo -75.0 7.92 10.46 Favored 'Cis proline' 0 C--N 1.359 1.126 0 C-N-CA 121.032 -2.487 . . . . 0.0 110.955 0.046 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.674 HG21 ' CG ' ' A' ' 5' ' ' PHE . 2.1 t -70.75 -38.92 74.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 109.322 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.498 ' H ' ' C ' ' A' ' 41' ' ' SER . 0.4 OUTLIER -51.73 -25.42 7.39 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.48 1.112 . . . . 0.0 109.996 -179.974 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.569 ' HB2' ' CE1' ' A' ' 42' ' ' PHE . 1.9 tt0 -74.45 -30.77 62.02 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.514 1.134 . . . . 0.0 110.279 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -76.39 -38.66 55.38 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.538 1.149 . . . . 0.0 109.981 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . 0.657 ' O ' ' HB2' ' A' ' 52' ' ' ALA . 0.3 OUTLIER -53.92 -45.35 71.16 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 108.275 -179.971 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -76.08 -22.73 55.29 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.105 . . . . 0.0 109.307 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -76.22 -53.82 5.47 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.549 1.155 . . . . 0.0 111.003 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . 0.402 ' O ' ' HA ' ' A' ' 25' ' ' SER . 2.2 tpt -86.23 21.64 1.99 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 0.762 . . . . 0.0 111.018 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.657 ' HB2' ' O ' ' A' ' 48' ' ' CYS . . . -87.65 42.3 1.04 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.106 . . . . 0.0 109.312 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.426 ' OD1' ' N ' ' A' ' 54' ' ' SER . 35.0 t0 54.42 170.42 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 0.0 109.303 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.426 ' N ' ' OD1' ' A' ' 53' ' ' ASP . 0.4 OUTLIER -104.06 -89.73 0.4 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.491 1.12 . . . . 0.0 109.999 -179.972 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 4.5 t30 -113.87 -9.2 13.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.147 . . . . 0.0 109.298 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 22.9 m-20 -74.84 -4.15 36.12 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 109.272 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . 0.41 ' N ' ' OD2' ' A' ' 53' ' ' ASP . 0.1 OUTLIER -81.58 151.05 67.9 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.135 . . . . 0.0 108.265 -179.968 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 57.81 4.68 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.475 1.776 . . . . 0.0 110.975 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 8.1 m120 -93.17 163.73 13.52 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.486 1.116 . . . . 0.0 109.289 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 109.289 179.95 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 . . . . . 0 N--CA 1.452 -0.333 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -101.5 -36.02 4.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.125 . . . . 0.0 109.294 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -54.33 -28.8 45.1 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.494 1.121 . . . . 0.0 110.297 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 61.8 m-20 -74.6 -11.17 60.13 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 109.358 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.58 ' CG ' HG21 ' A' ' 44' ' ' VAL . 14.3 m-85 -123.25 16.95 9.86 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.48 1.113 . . . . 0.0 110.993 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.527 ' CD2' ' HB3' ' A' ' 17' ' ' SER . 1.4 t80 -77.86 122.23 25.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 0.0 110.989 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 72.0 p -106.25 86.87 2.43 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.526 1.141 . . . . 0.0 110.418 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.26 -5.59 28.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.144 . . . . 0.0 110.017 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -74.13 -53.07 10.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 110.291 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.826 HG23 ' O ' ' A' ' 38' ' ' GLN . 0.2 OUTLIER -91.86 -27.53 17.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 0.0 110.371 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.471 ' SG ' ' CB ' ' A' ' 20' ' ' ALA . 18.3 t -63.92 136.55 96.78 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.133 . . . . 0.0 108.3 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.411 ' HD2' ' SG ' ' A' ' 11' ' ' CYS . 18.2 Cg_endo -75.03 -1.93 11.88 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.523 1.802 . . . . 0.0 110.987 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.439 ' HB2' ' HB2' ' A' ' 20' ' ' ALA . 98.2 m-85 -117.59 163.83 15.86 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.468 1.105 . . . . 0.0 110.964 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.431 ' HD3' ' N ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -155.67 30.23 0.37 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 109.347 179.969 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.524 ' O ' ' CB ' ' A' ' 16' ' ' ASP . 18.4 m-20 -128.76 68.88 1.38 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.555 1.16 . . . . 0.0 109.276 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.524 ' CB ' ' O ' ' A' ' 15' ' ' ASN . 3.7 t0 83.88 132.63 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.482 1.113 . . . . 0.0 109.296 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.527 ' HB3' ' CD2' ' A' ' 6' ' ' TYR . 42.9 p -65.28 -22.91 66.91 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 109.997 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.509 ' O ' ' CB ' ' A' ' 22' ' ' ASP . 40.5 mt-30 -68.6 -23.15 64.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.548 1.155 . . . . 0.0 110.293 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 51.9 tp -69.9 -55.22 10.28 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 109.309 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.471 ' CB ' ' SG ' ' A' ' 11' ' ' CYS . . . -68.92 -31.34 70.16 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.534 1.146 . . . . 0.0 109.287 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' TRP . . . . . 0.442 ' CD2' ' OG ' ' A' ' 25' ' ' SER . 7.3 t-105 -73.52 -45.74 51.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 0.0 108.03 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.509 ' CB ' ' O ' ' A' ' 18' ' ' GLN . 29.2 t0 -67.55 -9.9 46.85 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 109.346 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.466 ' CG2' ' OD1' ' A' ' 30' ' ' ASN . 0.8 OUTLIER -81.96 -54.4 5.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 110.377 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.406 ' O ' ' CB ' ' A' ' 31' ' ' CYS . 0.0 OUTLIER -91.23 -59.03 2.26 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.13 . . . . 0.0 108.332 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.442 ' OG ' ' CD2' ' A' ' 21' ' ' TRP . 0.0 OUTLIER -75.32 54.57 0.73 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 109.992 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -136.92 -119.37 1.83 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.468 1.105 . . . . 0.0 111.017 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -105.33 -54.53 0.74 Allowed Glycine 0 CA--C 1.53 0.972 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 61.0 p -135.86 -152.33 0.45 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.453 0.737 . . . . 0.0 110.394 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 92.6 -136.13 13.04 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.443 1.09 . . . . 0.0 110.99 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.466 ' OD1' ' CG2' ' A' ' 23' ' ' THR . 2.9 p-10 -99.17 40.19 1.23 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 0.758 . . . . 0.0 109.282 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.406 ' CB ' ' O ' ' A' ' 24' ' ' CYS . 15.5 p -69.61 129.9 40.92 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 108.305 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 178.23 -171.35 43.73 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.492 1.12 . . . . 0.0 110.989 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.442 ' HA ' ' SG ' ' A' ' 36' ' ' CYS . 87.2 m -85.25 -5.87 59.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 0.786 . . . . 0.0 110.408 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.487 ' O ' ' HB2' ' A' ' 38' ' ' GLN . 77.7 t -83.26 -34.73 11.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 109.286 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -62.82 -17.22 60.95 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.13 . . . . 0.0 108.265 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.771 ' SG ' ' HB2' ' A' ' 49' ' ' ALA . 72.2 m -54.72 -77.38 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 108.321 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -87.58 48.14 3.7 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.5 1.125 . . . . 0.0 110.992 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.826 ' O ' HG23 ' A' ' 10' ' ' THR . 4.0 tt0 -120.89 -56.08 1.96 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 0.771 . . . . 0.0 110.322 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 70.8 m -111.28 -17.98 13.04 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 0.0 108.292 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.411 ' CZ ' ' HB2' ' A' ' 21' ' ' TRP . 0.8 OUTLIER -135.25 175.83 9.23 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.534 1.147 . . . . 0.0 111.039 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.495 ' C ' ' H ' ' A' ' 45' ' ' SER . 3.1 m -141.33 158.48 43.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.544 1.153 . . . . 0.0 109.99 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.713 ' CD2' ' HA ' ' A' ' 43' ' ' PRO . 0.2 OUTLIER -55.36 154.79 10.87 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 111.021 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.713 ' HA ' ' CD2' ' A' ' 42' ' ' PHE . 18.2 Cg_endo -75.01 7.62 10.74 Favored 'Cis proline' 0 C--N 1.36 1.136 0 C-N-CA 120.989 -2.504 . . . . 0.0 110.981 0.023 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.58 HG21 ' CG ' ' A' ' 5' ' ' PHE . 2.0 t -70.65 -37.9 71.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.314 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.548 ' HB3' ' N ' ' A' ' 42' ' ' PHE . 0.2 OUTLIER -52.48 -18.24 1.59 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.138 . . . . 0.0 109.974 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.592 ' HB2' ' CE1' ' A' ' 42' ' ' PHE . 0.8 OUTLIER -87.54 -25.1 23.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.097 . . . . 0.0 110.28 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . 0.449 ' N ' ' O ' ' A' ' 44' ' ' VAL . 0.8 OUTLIER -75.31 -38.36 60.31 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.124 . . . . 0.0 110.07 179.969 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -53.53 -66.41 0.4 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.474 1.109 . . . . 0.0 108.298 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.771 ' HB2' ' SG ' ' A' ' 36' ' ' CYS . . . -57.9 -18.21 21.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 109.295 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -78.58 -55.05 4.04 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.564 1.165 . . . . 0.0 111.037 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . 0.442 ' HB3' ' CB ' ' A' ' 25' ' ' SER . 8.5 tpt -86.45 22.45 1.85 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.477 0.751 . . . . 0.0 111.037 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -86.14 45.9 1.27 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.123 . . . . 0.0 109.274 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 13.5 t0 53.8 172.5 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.451 1.094 . . . . 0.0 109.319 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -98.05 -87.71 0.33 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 109.971 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -115.14 -7.92 12.42 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.122 . . . . 0.0 109.295 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 36.3 m-20 -74.51 -6.43 48.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.557 1.16 . . . . 0.0 109.278 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -85.15 150.3 54.69 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 108.329 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 57.38 4.53 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.483 1.781 . . . . 0.0 111.02 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 12.2 m120 -86.25 168.29 14.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.303 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.551 1.157 . . . . 0.0 109.307 -179.963 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 72.0 m-20 . . . . . 0 N--CA 1.454 -0.261 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -109.81 -33.86 2.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 0.0 109.274 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -53.75 -28.75 36.28 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.462 1.101 . . . . 0.0 110.29 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 27.3 m-20 -74.4 -11.56 60.28 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 109.323 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.455 ' CG ' HG21 ' A' ' 44' ' ' VAL . 13.6 m-85 -120.82 18.06 11.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 110.998 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.559 ' CG ' ' CB ' ' A' ' 17' ' ' SER . 1.8 t80 -78.02 122.14 25.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.101 . . . . 0.0 110.998 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.414 ' O ' ' OG1' ' A' ' 7' ' ' THR . 9.2 p -109.0 89.13 2.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 110.404 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 36.0 t -75.93 -0.13 20.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 109.976 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -77.37 -41.62 39.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 110.307 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.872 HG23 ' O ' ' A' ' 38' ' ' GLN . 0.8 OUTLIER -107.38 -24.83 11.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 110.362 -179.953 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.417 ' SG ' ' CB ' ' A' ' 20' ' ' ALA . 33.9 t -64.39 136.3 96.7 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 0.0 108.326 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.408 ' HD2' ' SG ' ' A' ' 11' ' ' CYS . 18.4 Cg_endo -74.93 -1.99 11.93 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.478 1.778 . . . . 0.0 111.013 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.48 ' HB2' ' HB2' ' A' ' 20' ' ' ALA . 98.4 m-85 -123.08 148.92 45.09 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.54 1.15 . . . . 0.0 111.015 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.05 29.97 2.77 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.141 . . . . 0.0 109.329 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.432 ' O ' ' CB ' ' A' ' 16' ' ' ASP . 57.0 m-20 -125.51 74.16 1.38 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 109.278 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.432 ' CB ' ' O ' ' A' ' 15' ' ' ASN . 0.2 OUTLIER 76.95 126.99 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 109.304 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.559 ' CB ' ' CG ' ' A' ' 6' ' ' TYR . 0.4 OUTLIER -61.94 -21.48 64.82 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.434 1.084 . . . . 0.0 109.986 -180.0 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 22.3 tt0 -70.65 -25.28 62.94 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.462 1.101 . . . . 0.0 110.262 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.431 ' CD2' ' HB2' ' A' ' 15' ' ' ASN . 40.1 tp -66.69 -55.42 15.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 0.0 109.295 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.48 ' HB2' ' HB2' ' A' ' 13' ' ' TYR . . . -63.48 -27.87 69.57 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.486 1.116 . . . . 0.0 109.333 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' TRP . . . . . 0.562 ' HB2' ' CZ ' ' A' ' 40' ' ' PHE . 4.5 t-105 -76.3 -42.14 46.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.576 1.172 . . . . 0.0 107.982 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -64.86 -15.31 61.73 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.443 1.09 . . . . 0.0 109.328 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.414 ' O ' ' O ' ' A' ' 28' ' ' THR . 0.7 OUTLIER -83.22 -50.9 7.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 110.339 -179.95 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.435 ' SG ' ' N ' ' A' ' 25' ' ' SER . 0.0 OUTLIER -87.82 -71.63 0.56 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 108.292 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.529 ' OG ' ' CD2' ' A' ' 21' ' ' TRP . 0.0 OUTLIER -78.49 52.6 1.18 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 110.032 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -125.05 2.63 8.44 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.449 1.093 . . . . 0.0 110.995 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 102.43 -33.12 6.81 Favored Glycine 0 CA--C 1.53 0.988 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.414 ' O ' ' O ' ' A' ' 23' ' ' THR . 40.2 p -135.78 -164.22 1.51 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.445 0.733 . . . . 0.0 110.392 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 84.85 -134.3 12.53 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.458 1.099 . . . . 0.0 111.017 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.41 ' OD1' ' C ' ' A' ' 30' ' ' ASN . 43.9 p30 -103.59 39.74 1.55 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.54 0.788 . . . . 0.0 109.276 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.409 ' SG ' ' O ' ' A' ' 52' ' ' ALA . 0.7 OUTLIER -57.79 131.42 50.28 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 108.276 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -175.85 -176.62 44.22 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.56 1.162 . . . . 0.0 110.965 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.448 ' HA ' ' SG ' ' A' ' 36' ' ' CYS . 94.7 m -85.41 -6.57 59.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 0.79 . . . . 0.0 110.397 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.477 ' O ' ' HB2' ' A' ' 38' ' ' GLN . 89.0 t -80.87 -34.89 14.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 0.0 109.291 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -62.6 -16.72 57.91 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 0.0 108.328 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.737 ' SG ' ' HB2' ' A' ' 49' ' ' ALA . 70.6 m -55.08 -77.39 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.498 1.124 . . . . 0.0 108.333 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -87.7 49.21 3.82 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.501 1.126 . . . . 0.0 111.042 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.872 ' O ' HG23 ' A' ' 10' ' ' THR . 4.7 tt0 -120.96 -58.58 1.8 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.445 0.732 . . . . 0.0 110.315 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 62.1 m -112.43 -14.25 13.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 108.286 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.562 ' CZ ' ' HB2' ' A' ' 21' ' ' TRP . 1.1 m-85 -135.26 173.85 11.26 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 110.962 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.501 ' O ' ' HB ' ' A' ' 44' ' ' VAL . 2.3 m -141.68 157.28 45.26 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.477 1.11 . . . . 0.0 109.947 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.731 ' CD2' ' HA ' ' A' ' 43' ' ' PRO . 0.2 OUTLIER -54.51 154.36 8.93 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.108 . . . . 0.0 110.975 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.731 ' HA ' ' CD2' ' A' ' 42' ' ' PHE . 18.3 Cg_endo -74.95 7.46 10.75 Favored 'Cis proline' 0 C--N 1.36 1.178 0 C-N-CA 120.977 -2.51 . . . . 0.0 110.989 -0.06 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.501 ' HB ' ' O ' ' A' ' 41' ' ' SER . 2.1 t -70.09 -37.88 73.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 109.325 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.528 ' HB3' ' N ' ' A' ' 42' ' ' PHE . 0.2 OUTLIER -52.16 -17.88 1.27 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.559 1.162 . . . . 0.0 110.005 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.603 ' HB2' ' CE1' ' A' ' 42' ' ' PHE . 27.8 tp60 -87.29 -29.9 21.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.449 1.093 . . . . 0.0 110.328 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . 0.413 ' N ' ' O ' ' A' ' 44' ' ' VAL . 2.9 t -70.62 -37.68 73.86 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.568 1.167 . . . . 0.0 109.97 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . 0.401 ' SG ' ' N ' ' A' ' 36' ' ' CYS . 0.5 OUTLIER -54.05 -67.56 0.25 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.442 1.089 . . . . 0.0 108.261 -179.964 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.737 ' HB2' ' SG ' ' A' ' 36' ' ' CYS . . . -57.45 -17.88 15.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 109.331 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -79.19 -55.12 3.83 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.509 1.13 . . . . 0.0 111.029 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . 0.431 ' HB3' ' CB ' ' A' ' 25' ' ' SER . 0.0 OUTLIER -85.46 15.7 4.31 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 0.762 . . . . 0.0 110.999 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.409 ' O ' ' SG ' ' A' ' 31' ' ' CYS . . . -90.56 25.28 2.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.297 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.407 ' O ' ' O ' ' A' ' 52' ' ' ALA . 3.0 m-20 59.41 154.06 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.309 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -95.99 -80.24 0.43 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.1 . . . . 0.0 109.976 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 6.5 t30 -107.78 -7.4 16.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 109.316 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -74.31 -20.73 60.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 109.28 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . 0.435 ' CB ' ' CD ' ' A' ' 58' ' ' PRO . 0.0 OUTLIER -81.31 175.1 5.16 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 0.0 108.316 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.435 ' CD ' ' CB ' ' A' ' 57' ' ' CYS . 18.3 Cg_endo -74.98 56.91 4.39 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.516 1.798 . . . . 0.0 111.017 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -121.12 -177.38 3.49 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.512 1.133 . . . . 0.0 109.317 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.536 1.148 . . . . 0.0 109.256 -179.998 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 1.9 t0 . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.276 -0.638 . . . . 0.0 109.276 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -109.46 -36.41 2.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.104 . . . . 0.0 109.274 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -54.2 -29.88 47.71 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.531 1.145 . . . . 0.0 110.296 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -74.42 -14.69 60.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 109.309 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.636 ' CG ' HG21 ' A' ' 44' ' ' VAL . 17.1 m-85 -118.69 18.18 13.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 111.014 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.542 ' CG ' ' HB3' ' A' ' 17' ' ' SER . 4.7 t80 -78.09 126.25 30.54 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 111.021 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.414 ' O ' ' HB2' ' A' ' 11' ' ' CYS . 56.4 p -109.08 84.02 1.85 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.111 . . . . 0.0 110.392 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 22.9 t -70.37 -4.44 22.32 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.462 1.101 . . . . 0.0 110.004 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.77 -50.29 17.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.109 . . . . 0.0 110.306 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.912 HG23 ' O ' ' A' ' 38' ' ' GLN . 0.0 OUTLIER -96.08 -25.62 15.82 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 0.0 110.415 179.974 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.421 ' SG ' ' CB ' ' A' ' 20' ' ' ALA . 16.8 t -63.75 136.28 96.65 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.532 1.145 . . . . 0.0 108.319 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.403 ' HD2' ' SG ' ' A' ' 11' ' ' CYS . 18.2 Cg_endo -74.97 -6.4 18.03 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.497 1.788 . . . . 0.0 111.009 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.457 ' HB3' HD23 ' A' ' 19' ' ' LEU . 68.9 m-85 -118.69 146.7 44.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.138 . . . . 0.0 111.011 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.54 35.07 2.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.105 . . . . 0.0 109.298 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.614 ' HB2' HD22 ' A' ' 19' ' ' LEU . 13.8 m-20 -126.56 63.46 1.28 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.444 1.09 . . . . 0.0 109.286 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.556 ' CB ' ' O ' ' A' ' 15' ' ' ASN . 3.5 t70 86.06 145.25 0.06 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.132 . . . . 0.0 109.28 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.542 ' HB3' ' CG ' ' A' ' 6' ' ' TYR . 85.1 p -73.15 -31.83 64.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.135 . . . . 0.0 109.981 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.517 ' O ' ' CB ' ' A' ' 22' ' ' ASP . 80.9 mt-30 -63.8 -16.94 62.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 110.28 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.614 HD22 ' HB2' ' A' ' 15' ' ' ASN . 24.9 tp -73.7 -59.69 2.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.314 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.449 ' HB2' ' HB2' ' A' ' 13' ' ' TYR . . . -66.9 -26.58 66.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 109.288 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' TRP . . . . . 0.59 ' CE3' ' OG ' ' A' ' 25' ' ' SER . 5.0 t-105 -78.19 -41.96 32.94 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.122 . . . . 0.0 108.018 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.517 ' CB ' ' O ' ' A' ' 18' ' ' GLN . 3.1 t70 -64.47 -13.2 50.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.541 1.151 . . . . 0.0 109.314 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -98.85 -59.92 1.64 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 110.376 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.533 ' SG ' ' N ' ' A' ' 25' ' ' SER . 0.4 OUTLIER -66.59 -54.1 27.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 108.309 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.59 ' OG ' ' CE3' ' A' ' 21' ' ' TRP . 0.0 OUTLIER -93.6 54.5 2.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.135 . . . . 0.0 110.059 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -134.55 -154.59 7.22 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.5 1.125 . . . . 0.0 110.99 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -94.73 -22.31 23.98 Favored Glycine 0 CA--C 1.53 0.984 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 71.0 p -134.82 -152.66 0.48 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 0.751 . . . . 0.0 110.391 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 75.08 -128.24 9.83 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.491 1.119 . . . . 0.0 111.002 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -130.3 78.78 1.86 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.554 0.797 . . . . 0.0 109.33 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.623 ' HB2' ' HB1' ' A' ' 52' ' ' ALA . 21.5 p -85.1 150.08 25.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 108.375 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 162.94 179.88 37.76 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.544 1.153 . . . . 0.0 111.005 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.401 ' O ' ' SG ' ' A' ' 36' ' ' CYS . 98.9 m -85.01 -5.17 59.36 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.554 0.796 . . . . 0.0 110.43 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.439 ' O ' ' HB2' ' A' ' 38' ' ' GLN . 91.3 t -74.68 -41.1 47.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 109.272 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -63.15 -14.98 55.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 108.292 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.537 ' SG ' ' N ' ' A' ' 37' ' ' GLY . 0.7 OUTLIER -53.64 -52.75 58.9 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.114 . . . . 0.0 108.319 179.974 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.537 ' N ' ' SG ' ' A' ' 36' ' ' CYS . . . -114.88 41.39 2.18 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.505 1.128 . . . . 0.0 110.986 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.912 ' O ' HG23 ' A' ' 10' ' ' THR . 2.9 tp60 -120.29 -49.58 2.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.459 0.741 . . . . 0.0 110.327 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 68.9 m -112.46 -23.06 10.51 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 0.0 108.314 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.569 ' CZ ' ' HB2' ' A' ' 21' ' ' TRP . 0.8 OUTLIER -135.44 -175.12 3.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 0.0 110.991 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.499 ' O ' ' HB ' ' A' ' 44' ' ' VAL . 0.3 OUTLIER -151.48 157.08 41.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 109.992 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.699 ' CG ' ' HA ' ' A' ' 43' ' ' PRO . 0.2 OUTLIER -54.91 155.1 8.65 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.148 . . . . 0.0 110.97 -179.966 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.699 ' HA ' ' CG ' ' A' ' 42' ' ' PHE . 18.2 Cg_endo -74.96 8.28 10.1 Favored 'Cis proline' 0 C--N 1.361 1.193 0 C-N-CA 121.036 -2.485 . . . . 0.0 111.023 -0.057 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.636 HG21 ' CG ' ' A' ' 5' ' ' PHE . 2.1 t -70.97 -38.43 72.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.12 . . . . 0.0 109.319 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.54 ' HB3' ' N ' ' A' ' 42' ' ' PHE . 0.1 OUTLIER -51.18 -21.15 1.85 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.115 . . . . 0.0 110.001 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.579 ' HB2' ' CE1' ' A' ' 42' ' ' PHE . 1.1 tt0 -80.8 -29.98 35.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 110.301 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . 0.436 ' N ' ' O ' ' A' ' 44' ' ' VAL . 0.5 OUTLIER -75.81 -36.34 59.76 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.494 1.122 . . . . 0.0 110.011 179.985 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -54.92 -61.0 2.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 108.259 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.88 -12.95 58.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 109.282 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -83.01 -53.84 3.37 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.467 1.104 . . . . 0.0 111.021 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 8.1 tpt -86.28 20.35 2.41 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.521 0.777 . . . . 0.0 111.027 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.623 ' HB1' ' HB2' ' A' ' 31' ' ' CYS . . . -88.99 40.56 0.98 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 109.321 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.501 ' OD2' ' CB ' ' A' ' 56' ' ' ASP . 37.6 t0 52.31 174.84 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.138 . . . . 0.0 109.318 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -101.96 -87.07 0.41 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 110.014 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -114.52 -8.37 12.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 109.317 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.501 ' CB ' ' OD2' ' A' ' 53' ' ' ASP . 0.4 OUTLIER -74.55 -7.32 52.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 109.31 179.967 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -75.04 165.77 51.15 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.501 1.126 . . . . 0.0 108.283 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 56.01 4.11 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.514 1.797 . . . . 0.0 110.999 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 4.4 m120 -82.98 162.12 21.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.302 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 109.344 -179.993 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 1.2 p30 . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -111.29 -35.75 2.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.099 . . . . 0.0 109.287 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -53.75 -29.69 40.91 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.521 1.138 . . . . 0.0 110.307 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -74.61 -13.63 60.67 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.506 1.128 . . . . 0.0 109.324 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.669 ' CG ' HG21 ' A' ' 44' ' ' VAL . 14.7 m-85 -119.93 20.18 12.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 110.968 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.53 ' CG ' ' HB3' ' A' ' 17' ' ' SER . 2.3 t80 -78.36 121.91 25.09 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.499 1.124 . . . . 0.0 110.987 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.414 ' O ' ' HB2' ' A' ' 11' ' ' CYS . 44.6 p -105.88 85.32 2.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 110.461 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.3 t -72.09 -2.68 19.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 109.944 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -75.8 -48.74 20.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.461 1.101 . . . . 0.0 110.317 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.909 HG23 ' O ' ' A' ' 38' ' ' GLN . 0.0 OUTLIER -98.81 -25.19 14.72 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.128 . . . . 0.0 110.395 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.454 ' SG ' ' HD2' ' A' ' 12' ' ' PRO . 20.2 t -63.72 137.43 97.09 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 108.299 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.478 ' HG2' ' CE2' ' A' ' 13' ' ' TYR . 18.2 Cg_endo -75.01 -3.82 14.5 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.478 1.778 . . . . 0.0 110.966 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.612 ' HB3' HD12 ' A' ' 19' ' ' LEU . 66.9 m-85 -127.72 138.73 52.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 110.966 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.83 29.99 4.38 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.514 1.134 . . . . 0.0 109.314 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -95.88 -42.27 8.4 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.45 1.094 . . . . 0.0 109.331 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -165.24 149.26 8.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.444 1.09 . . . . 0.0 109.326 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.53 ' HB3' ' CG ' ' A' ' 6' ' ' TYR . 15.8 p -69.33 -36.91 77.42 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.483 1.114 . . . . 0.0 109.998 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 3.6 mt-30 -71.52 -23.4 61.77 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 110.296 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.776 HD13 ' N ' ' A' ' 20' ' ' ALA . 0.4 OUTLIER -64.0 -60.34 3.37 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.457 1.098 . . . . 0.0 109.295 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.776 ' N ' HD13 ' A' ' 19' ' ' LEU . . . -59.74 -34.53 73.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.551 1.157 . . . . 0.0 109.339 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' TRP . . . . . 0.582 ' HB2' ' CZ ' ' A' ' 40' ' ' PHE . 1.8 t-105 -68.97 -40.46 78.83 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 107.938 -1.134 . . . . 0.0 107.938 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -64.3 -13.42 49.83 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.139 . . . . 0.0 109.277 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.409 HG23 ' OD1' ' A' ' 30' ' ' ASN . 0.7 OUTLIER -87.27 -55.09 3.96 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 110.416 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.455 ' SG ' ' N ' ' A' ' 25' ' ' SER . 0.0 OUTLIER -81.77 -68.8 0.66 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 108.318 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.529 ' HB2' ' CE2' ' A' ' 21' ' ' TRP . 0.0 OUTLIER -80.83 51.16 1.47 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 109.988 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -126.21 3.6 7.8 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.545 1.153 . . . . 0.0 110.961 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 96.97 -34.28 5.16 Favored Glycine 0 CA--C 1.531 1.033 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 71.2 p -125.9 -152.89 0.53 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 0.765 . . . . 0.0 110.366 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 68.97 -124.87 18.09 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.456 1.098 . . . . 0.0 110.969 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.409 ' OD1' HG23 ' A' ' 23' ' ' THR . 0.7 OUTLIER -119.44 58.44 0.87 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 0.774 . . . . 0.0 109.3 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.413 ' CB ' ' O ' ' A' ' 24' ' ' CYS . 1.5 p -69.26 150.81 47.0 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.502 1.126 . . . . 0.0 108.317 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 152.28 176.33 24.82 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.546 1.154 . . . . 0.0 110.996 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.402 ' O ' ' SG ' ' A' ' 36' ' ' CYS . 89.5 m -72.96 -3.45 26.03 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.494 0.761 . . . . 0.0 110.351 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.433 ' O ' ' HB2' ' A' ' 38' ' ' GLN . 60.7 t -70.09 -53.0 25.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.118 . . . . 0.0 109.29 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -62.04 -16.67 53.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 108.286 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.478 ' SG ' ' N ' ' A' ' 37' ' ' GLY . 0.3 OUTLIER -55.37 -51.27 67.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.558 1.161 . . . . 0.0 108.333 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.478 ' N ' ' SG ' ' A' ' 36' ' ' CYS . . . -116.0 42.55 1.86 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.496 1.122 . . . . 0.0 111.004 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.909 ' O ' HG23 ' A' ' 10' ' ' THR . 10.8 tt0 -120.91 -53.25 2.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 0.751 . . . . 0.0 110.276 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.4 ' HA ' ' HB2' ' A' ' 11' ' ' CYS . 85.3 m -111.25 -18.39 12.96 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.54 1.15 . . . . 0.0 108.273 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.582 ' CZ ' ' HB2' ' A' ' 21' ' ' TRP . 1.5 m-85 -135.87 177.53 7.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.142 . . . . 0.0 110.974 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.527 ' O ' ' HB ' ' A' ' 44' ' ' VAL . 1.0 OUTLIER -148.72 156.33 42.23 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.475 1.11 . . . . 0.0 109.961 -179.952 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.689 ' CG ' ' HA ' ' A' ' 43' ' ' PRO . 0.2 OUTLIER -53.12 154.38 5.53 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.555 1.159 . . . . 0.0 111.009 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.689 ' HA ' ' CG ' ' A' ' 42' ' ' PHE . 18.3 Cg_endo -75.0 9.95 8.97 Favored 'Cis proline' 0 C--N 1.36 1.182 0 C-N-CA 120.983 -2.507 . . . . 0.0 111.021 -0.027 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.669 HG21 ' CG ' ' A' ' 5' ' ' PHE . 2.4 t -70.94 -39.79 75.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.138 . . . . 0.0 109.255 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.49 ' HB3' ' N ' ' A' ' 42' ' ' PHE . 0.1 OUTLIER -51.6 -19.8 1.69 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 0.0 110.035 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.576 ' HB2' ' CE1' ' A' ' 42' ' ' PHE . 0.8 OUTLIER -78.22 -31.51 49.38 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 110.31 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 3.6 m -76.64 -42.65 41.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.452 1.095 . . . . 0.0 109.975 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . 0.509 ' O ' ' HB2' ' A' ' 52' ' ' ALA . 1.2 t -54.5 -59.3 4.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 108.313 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.66 -13.49 59.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.319 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -84.66 -53.35 3.24 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.497 1.123 . . . . 0.0 111.006 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 4.0 tpp -85.63 15.41 4.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 0.765 . . . . 0.0 110.998 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.509 ' HB2' ' O ' ' A' ' 48' ' ' CYS . . . -90.68 31.41 1.05 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.452 1.095 . . . . 0.0 109.306 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 58.09 158.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 109.293 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -103.65 -72.42 0.7 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 109.999 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 5.1 t30 -116.52 -7.83 11.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.292 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -74.68 -21.54 59.35 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 109.264 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -76.32 155.73 83.88 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 108.289 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 56.05 4.14 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.539 1.81 . . . . 0.0 111.018 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 37.1 m-80 -89.65 162.76 15.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.12 . . . . 0.0 109.249 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.136 . . . . 0.0 109.254 -179.958 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 41.7 m-20 . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -92.75 -35.9 7.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 109.311 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.95 -30.65 47.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 110.296 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -74.24 -4.58 36.91 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.139 . . . . 0.0 109.285 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.479 ' CG ' HG21 ' A' ' 44' ' ' VAL . 14.5 m-85 -127.88 14.09 6.87 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 0.0 111.001 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.55 ' CG ' ' HB3' ' A' ' 17' ' ' SER . 4.7 t80 -78.63 129.4 34.71 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.514 1.134 . . . . 0.0 111.03 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 22.1 p -116.19 91.67 3.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 110.417 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -73.81 -2.24 22.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 109.983 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -76.47 -42.81 42.38 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 110.279 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.867 HG23 ' O ' ' A' ' 38' ' ' GLN . 10.1 t -103.04 -26.44 13.06 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 110.397 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.403 ' SG ' ' HD2' ' A' ' 12' ' ' PRO . 16.1 t -63.81 136.18 96.61 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 108.283 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.403 ' HD2' ' SG ' ' A' ' 11' ' ' CYS . 18.3 Cg_endo -75.0 -21.19 16.11 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.524 1.802 . . . . 0.0 111.041 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.535 ' HB2' ' HB2' ' A' ' 20' ' ' ALA . 85.2 m-85 -103.54 178.53 4.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.141 . . . . 0.0 110.996 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.498 ' O ' HD23 ' A' ' 19' ' ' LEU . 0.7 OUTLIER -155.39 -155.26 0.55 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 109.265 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.452 ' N ' ' HD2' ' A' ' 14' ' ' LYS . 1.4 t30 77.03 -63.14 0.38 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.547 1.154 . . . . 0.0 109.299 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -149.31 163.2 38.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 109.335 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.55 ' HB3' ' CG ' ' A' ' 6' ' ' TYR . 77.4 p -81.12 -29.2 34.87 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.111 . . . . 0.0 109.97 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 28.1 tt0 -66.01 -16.92 64.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.415 1.072 . . . . 0.0 110.333 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.498 HD23 ' O ' ' A' ' 14' ' ' LYS . 26.2 tp -72.32 -64.68 0.9 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.434 1.083 . . . . 0.0 109.322 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.535 ' HB2' ' HB2' ' A' ' 13' ' ' TYR . . . -59.23 -27.26 65.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.539 1.15 . . . . 0.0 109.31 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' TRP . . . . . 0.587 ' CZ2' ' CB ' ' A' ' 51' ' ' MET . 10.2 t-105 -71.21 -40.54 71.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.13 . . . . 0.0 107.989 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -68.76 -17.04 63.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 109.297 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -75.05 -55.73 5.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 110.416 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.426 ' CB ' ' HA ' ' A' ' 31' ' ' CYS . 0.0 OUTLIER -91.09 -66.99 0.88 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 108.322 179.958 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.533 ' HB2' ' CE2' ' A' ' 21' ' ' TRP . 0.1 OUTLIER -76.98 53.43 0.94 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.127 . . . . 0.0 110.032 179.975 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -131.51 9.19 5.57 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.514 1.134 . . . . 0.0 110.975 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.406 ' O ' ' SG ' ' A' ' 57' ' ' CYS . . . 97.52 -37.93 3.28 Favored Glycine 0 CA--C 1.53 0.991 0 N-CA-C 111.006 -0.837 . . . . 0.0 111.006 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 52.5 p -132.18 -163.3 1.32 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 0.773 . . . . 0.0 110.371 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 85.88 -136.32 14.16 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.509 1.13 . . . . 0.0 110.963 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 30.8 p30 -102.06 37.23 1.9 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 0.785 . . . . 0.0 109.315 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.426 ' HA ' ' CB ' ' A' ' 24' ' ' CYS . 0.6 OUTLIER -55.63 146.87 19.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.148 . . . . 0.0 108.268 -179.951 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 164.49 -176.41 40.38 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.457 1.098 . . . . 0.0 110.993 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.427 ' HA ' ' SG ' ' A' ' 36' ' ' CYS . 92.4 m -84.93 -6.25 59.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 0.765 . . . . 0.0 110.377 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.549 ' CG1' ' NE2' ' A' ' 38' ' ' GLN . 25.2 t -83.68 -33.34 9.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.507 1.13 . . . . 0.0 109.304 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -62.39 -19.94 63.93 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.542 1.151 . . . . 0.0 108.311 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.71 ' SG ' ' HB2' ' A' ' 49' ' ' ALA . 59.2 m -54.23 -76.83 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.558 1.161 . . . . 0.0 108.327 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -85.24 45.99 3.6 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.481 1.113 . . . . 0.0 111.061 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.867 ' O ' HG23 ' A' ' 10' ' ' THR . 0.4 OUTLIER -120.31 -35.73 3.37 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.52 0.777 . . . . 0.0 110.25 -179.945 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 70.8 m -130.01 -43.95 1.19 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.103 . . . . 0.0 108.271 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.526 ' CZ ' ' HB2' ' A' ' 21' ' ' TRP . 0.4 OUTLIER -110.06 175.9 5.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.15 . . . . 0.0 111.005 -179.961 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.519 ' C ' ' H ' ' A' ' 45' ' ' SER . 0.7 OUTLIER -139.35 159.3 42.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 110.025 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.739 ' CD2' ' HA ' ' A' ' 43' ' ' PRO . 0.2 OUTLIER -54.13 154.22 8.19 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.138 . . . . 0.0 111.013 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.739 ' HA ' ' CD2' ' A' ' 42' ' ' PHE . 18.2 Cg_endo -75.03 6.37 11.81 Favored 'Cis proline' 0 C--N 1.361 1.187 0 C-N-CA 120.924 -2.532 . . . . 0.0 111.023 -0.029 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.479 HG21 ' CG ' ' A' ' 5' ' ' PHE . 2.2 t -70.12 -37.9 73.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.553 1.158 . . . . 0.0 109.286 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.519 ' H ' ' C ' ' A' ' 41' ' ' SER . 0.9 OUTLIER -52.61 -19.0 2.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 109.974 -179.959 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.601 ' HB2' ' CE1' ' A' ' 42' ' ' PHE . 0.5 OUTLIER -87.21 -24.05 24.56 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 0.0 110.287 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . 0.452 ' N ' ' O ' ' A' ' 44' ' ' VAL . 8.7 m -75.52 -38.02 59.7 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.104 . . . . 0.0 110.036 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . 0.435 ' SG ' ' N ' ' A' ' 36' ' ' CYS . 0.1 OUTLIER -53.6 -63.54 1.12 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.45 1.094 . . . . 0.0 108.288 179.973 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.71 ' HB2' ' SG ' ' A' ' 36' ' ' CYS . . . -60.53 -15.15 24.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.562 1.163 . . . . 0.0 109.28 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -82.51 -53.48 3.59 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.498 1.124 . . . . 0.0 110.957 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . 0.587 ' CB ' ' CZ2' ' A' ' 21' ' ' TRP . 1.7 tpt -85.3 13.19 6.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 0.762 . . . . 0.0 110.989 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.415 ' O ' ' O ' ' A' ' 53' ' ' ASP . . . -90.77 35.05 0.89 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 109.243 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.415 ' O ' ' O ' ' A' ' 52' ' ' ALA . 1.3 m-20 57.17 161.8 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 109.319 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -96.98 -78.2 0.48 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.513 1.133 . . . . 0.0 109.964 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -115.43 -7.3 12.29 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.515 1.134 . . . . 0.0 109.264 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -74.33 -16.34 60.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.427 1.079 . . . . 0.0 109.324 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . 0.406 ' SG ' ' O ' ' A' ' 27' ' ' GLY . 0.0 OUTLIER -83.18 153.17 66.1 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 108.276 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.01 55.84 4.07 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.508 1.793 . . . . 0.0 111.029 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 52.4 m-20 -95.39 163.48 13.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.311 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.486 1.116 . . . . 0.0 109.346 -179.952 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . 0.44 ' OD1' ' N ' ' A' ' 3' ' ' GLU . 59.0 t0 . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 1.5 pt -80.88 -41.53 19.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.433 1.083 . . . . 0.0 109.296 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.44 ' N ' ' OD1' ' A' ' 1' ' ' ASP . 0.0 OUTLIER -53.99 -27.03 28.99 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.141 . . . . 0.0 110.29 179.971 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -74.38 -10.11 59.26 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.47 1.107 . . . . 0.0 109.27 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.492 ' CG ' HG21 ' A' ' 44' ' ' VAL . 20.7 m-85 -122.14 14.82 10.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 110.996 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.565 ' CG ' ' HB2' ' A' ' 17' ' ' SER . 3.8 t80 -77.74 122.24 25.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 111.05 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 8.6 p -107.87 91.24 3.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 110.403 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -72.78 -3.09 23.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 110.0 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -76.34 -47.73 22.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 110.303 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.888 HG23 ' O ' ' A' ' 38' ' ' GLN . 0.5 OUTLIER -96.8 -25.41 15.5 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.519 1.137 . . . . 0.0 110.422 179.967 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.435 ' SG ' ' HD2' ' A' ' 12' ' ' PRO . 22.3 t -64.24 136.99 96.98 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 108.287 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.435 ' HD2' ' SG ' ' A' ' 11' ' ' CYS . 18.2 Cg_endo -75.05 -23.97 13.2 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.491 1.785 . . . . 0.0 110.994 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 64.5 m-85 -109.72 177.1 4.83 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.518 1.136 . . . . 0.0 111.009 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.435 ' HG2' ' N ' ' A' ' 15' ' ' ASN . 0.0 OUTLIER -152.05 -142.95 0.13 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.567 1.167 . . . . 0.0 109.303 -179.998 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.435 ' N ' ' HG2' ' A' ' 14' ' ' LYS . 1.0 OUTLIER 73.18 -63.88 0.42 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.493 1.121 . . . . 0.0 109.303 179.965 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -149.26 156.34 41.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 109.277 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.565 ' HB2' ' CG ' ' A' ' 6' ' ' TYR . 11.4 t -75.61 -30.77 59.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.435 1.085 . . . . 0.0 109.949 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -64.64 -16.92 63.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 110.334 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 36.7 tp -73.14 -65.9 0.75 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.471 1.107 . . . . 0.0 109.3 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -59.25 -24.62 63.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.453 1.096 . . . . 0.0 109.264 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' TRP . . . . . 0.509 ' CD2' ' OG ' ' A' ' 25' ' ' SER . 7.9 t-105 -75.29 -50.03 17.33 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.504 1.127 . . . . 0.0 108.022 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.429 ' OD1' ' O ' ' A' ' 22' ' ' ASP . 46.8 t0 -63.63 -12.91 37.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 109.29 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -78.15 -54.87 5.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 110.417 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -85.36 -58.3 2.73 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.484 1.115 . . . . 0.0 108.336 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.509 ' OG ' ' CD2' ' A' ' 21' ' ' TRP . 76.8 p -76.24 51.89 0.72 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.996 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -130.19 2.7 5.88 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.555 1.16 . . . . 0.0 110.985 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 94.62 -31.17 7.04 Favored Glycine 0 CA--C 1.53 0.997 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 53.1 p -130.83 -167.49 1.84 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 0.753 . . . . 0.0 110.413 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 86.19 -128.95 9.11 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.496 1.122 . . . . 0.0 110.996 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 2.1 p30 -107.25 30.73 5.95 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.521 0.777 . . . . 0.0 109.269 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -54.81 150.49 9.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.548 1.155 . . . . 0.0 108.284 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 156.13 -170.51 33.83 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.502 1.126 . . . . 0.0 111.023 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.441 ' HA ' ' SG ' ' A' ' 36' ' ' CYS . 91.4 m -85.38 -6.3 59.24 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 0.788 . . . . 0.0 110.373 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.496 ' O ' ' HB2' ' A' ' 38' ' ' GLN . 81.6 t -82.04 -34.05 12.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.545 1.153 . . . . 0.0 109.27 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -63.48 -21.36 66.27 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.454 1.096 . . . . 0.0 108.337 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.828 ' SG ' ' HB2' ' A' ' 49' ' ' ALA . 64.4 m -54.51 -78.46 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.476 1.11 . . . . 0.0 108.27 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -85.77 49.62 4.18 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.518 1.136 . . . . 0.0 110.986 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.888 ' O ' HG23 ' A' ' 10' ' ' THR . 0.8 OUTLIER -120.02 -59.74 1.76 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 0.741 . . . . 0.0 110.262 179.979 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 62.7 m -112.54 -13.99 13.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 108.32 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.401 ' HA ' ' O ' ' A' ' 5' ' ' PHE . 0.8 OUTLIER -134.75 174.48 10.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.125 . . . . 0.0 111.026 179.975 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.498 ' O ' ' HB ' ' A' ' 44' ' ' VAL . 3.1 m -142.53 158.03 44.11 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.552 1.158 . . . . 0.0 110.019 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.748 ' CD2' ' HA ' ' A' ' 43' ' ' PRO . 0.2 OUTLIER -54.52 154.6 8.56 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.147 . . . . 0.0 111.048 179.956 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.748 ' HA ' ' CD2' ' A' ' 42' ' ' PHE . 18.1 Cg_endo -75.05 6.88 11.47 Favored 'Cis proline' 0 C--N 1.359 1.127 0 C-N-CA 121.007 -2.497 . . . . 0.0 110.953 0.055 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.498 ' HB ' ' O ' ' A' ' 41' ' ' SER . 2.2 t -69.95 -37.88 73.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.434 1.084 . . . . 0.0 109.272 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.542 ' HB3' ' N ' ' A' ' 42' ' ' PHE . 0.2 OUTLIER -51.89 -18.07 1.19 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.11 . . . . 0.0 110.001 -179.984 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.604 ' HB2' ' CE1' ' A' ' 42' ' ' PHE . 49.2 tp60 -87.28 -29.41 21.66 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.464 1.102 . . . . 0.0 110.293 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . 0.425 ' N ' ' O ' ' A' ' 44' ' ' VAL . 4.2 t -70.81 -39.0 73.33 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.476 1.11 . . . . 0.0 109.976 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . 0.418 ' SG ' ' N ' ' A' ' 36' ' ' CYS . 0.1 OUTLIER -53.62 -69.42 0.12 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 108.286 179.979 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.828 ' HB2' ' SG ' ' A' ' 36' ' ' CYS . . . -58.06 -17.64 19.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 109.284 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -76.69 -63.27 2.36 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.449 1.093 . . . . 0.0 110.995 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . 0.467 ' O ' ' HG3' ' A' ' 51' ' ' MET . 29.0 tpp -74.52 -2.57 26.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 0.763 . . . . 0.0 110.938 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.416 ' HB2' ' O ' ' A' ' 48' ' ' CYS . . . -81.8 50.25 1.49 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.47 1.106 . . . . 0.0 109.29 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 52.19 176.06 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 109.328 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -112.32 -73.67 0.66 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.434 1.084 . . . . 0.0 110.0 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 4.8 t-20 -117.28 -7.4 11.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 109.296 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -74.46 -32.24 62.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 0.0 109.32 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -62.29 156.82 58.48 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 108.305 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 57.08 4.46 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.434 1.755 . . . . 0.0 110.956 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 9.9 m-20 -81.69 171.43 14.6 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.492 1.12 . . . . 0.0 109.295 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 0.0 109.3 -179.984 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -84.61 -34.97 9.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.5 1.125 . . . . 0.0 109.304 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -55.15 -29.41 57.7 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 110.311 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -74.58 -3.52 31.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 109.333 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 11.6 m-85 -128.99 19.3 6.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 111.055 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.508 ' CG ' ' HB3' ' A' ' 17' ' ' SER . 3.0 t80 -78.31 116.32 18.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.099 . . . . 0.0 111.033 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.404 ' O ' ' HB2' ' A' ' 11' ' ' CYS . 7.7 p -102.83 90.04 3.66 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 110.399 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 23.1 t -75.18 0.13 17.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.458 1.099 . . . . 0.0 110.017 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -77.86 -43.23 30.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 110.294 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.978 HG23 ' O ' ' A' ' 38' ' ' GLN . 0.1 OUTLIER -105.52 -23.46 12.79 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 110.402 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.478 ' SG ' ' HD2' ' A' ' 12' ' ' PRO . 31.0 t -64.24 138.21 97.35 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 108.308 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.558 ' HG2' ' CE2' ' A' ' 13' ' ' TYR . 18.3 Cg_endo -75.07 -14.87 20.86 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.5 1.789 . . . . 0.0 111.009 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.558 ' CE2' ' HG2' ' A' ' 12' ' ' PRO . 26.3 m-85 -112.46 145.82 39.52 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.474 1.109 . . . . 0.0 110.995 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.444 ' HD3' ' N ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -135.78 31.16 3.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 109.279 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -100.43 -45.63 5.5 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.128 . . . . 0.0 109.306 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -165.48 154.49 12.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 109.306 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.508 ' HB3' ' CG ' ' A' ' 6' ' ' TYR . 78.4 p -73.41 -34.52 65.54 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 110.016 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -72.5 -26.07 61.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 110.273 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.902 HD13 ' N ' ' A' ' 20' ' ' ALA . 0.3 OUTLIER -63.89 -59.91 3.93 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 109.311 -179.965 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.902 ' N ' HD13 ' A' ' 19' ' ' LEU . . . -59.74 -33.23 71.39 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 0.0 109.343 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' TRP . . . . . 0.537 ' CE2' ' HB2' ' A' ' 25' ' ' SER . 4.6 t-105 -67.47 -38.18 84.01 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -65.25 -12.85 55.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 0.0 109.242 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.581 HG22 ' N ' ' A' ' 24' ' ' CYS . 0.8 OUTLIER -90.13 -69.65 0.71 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 110.376 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.581 ' N ' HG22 ' A' ' 23' ' ' THR . 0.0 OUTLIER -67.0 -65.01 0.73 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 108.324 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.537 ' HB2' ' CE2' ' A' ' 21' ' ' TRP . 0.0 OUTLIER -78.24 53.31 1.22 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 110.007 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -131.45 -135.14 3.7 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.466 1.104 . . . . 0.0 111.021 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -105.18 -38.58 2.44 Favored Glycine 0 CA--C 1.53 0.977 0 N-CA-C 111.04 -0.824 . . . . 0.0 111.04 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 74.8 p -137.1 -161.31 1.15 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 0.744 . . . . 0.0 110.419 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 93.51 -118.74 5.76 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.478 1.111 . . . . 0.0 110.997 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 1.1 p-10 -131.7 68.48 1.49 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.552 0.796 . . . . 0.0 109.262 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.497 ' CB ' ' O ' ' A' ' 24' ' ' CYS . 11.6 p -84.61 138.28 32.8 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.539 1.149 . . . . 0.0 108.309 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 174.54 -178.32 46.38 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.522 1.139 . . . . 0.0 110.977 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.407 ' O ' ' SG ' ' A' ' 36' ' ' CYS . 96.4 m -83.04 -4.87 58.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 0.748 . . . . 0.0 110.44 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.404 ' O ' ' HB2' ' A' ' 38' ' ' GLN . 71.9 t -74.97 -41.35 45.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.522 1.139 . . . . 0.0 109.299 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -63.79 -13.53 45.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 108.329 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.537 ' SG ' ' N ' ' A' ' 37' ' ' GLY . 0.7 OUTLIER -54.64 -52.58 61.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.117 . . . . 0.0 108.274 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.537 ' N ' ' SG ' ' A' ' 36' ' ' CYS . . . -113.84 39.14 2.92 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.491 1.12 . . . . 0.0 110.96 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.978 ' O ' HG23 ' A' ' 10' ' ' THR . 18.4 tp60 -120.68 -45.99 2.38 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.53 0.783 . . . . 0.0 110.282 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.61 ' HB3' ' CE1' ' A' ' 40' ' ' PHE . 0.5 OUTLIER -111.99 -26.73 8.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 108.294 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.61 ' CE1' ' HB3' ' A' ' 39' ' ' CYS . 0.6 OUTLIER -135.55 -172.83 3.18 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.534 1.146 . . . . 0.0 111.013 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.51 ' O ' ' HB ' ' A' ' 44' ' ' VAL . 0.0 OUTLIER -150.93 157.06 42.43 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 110.016 -179.957 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.711 ' CG ' ' HA ' ' A' ' 43' ' ' PRO . 0.2 OUTLIER -55.65 155.49 10.7 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 111.001 -179.991 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.711 ' HA ' ' CG ' ' A' ' 42' ' ' PHE . 18.3 Cg_endo -74.99 8.44 10.03 Favored 'Cis proline' 0 C--N 1.36 1.134 0 C-N-CA 120.997 -2.501 . . . . 0.0 111.055 -0.022 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.51 ' HB ' ' O ' ' A' ' 41' ' ' SER . 2.1 t -71.15 -38.73 72.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 109.27 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.542 ' HB3' ' N ' ' A' ' 42' ' ' PHE . 0.1 OUTLIER -51.09 -21.81 2.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.447 1.092 . . . . 0.0 109.988 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.571 ' HB2' ' CE1' ' A' ' 42' ' ' PHE . 2.1 tt0 -77.65 -31.58 52.75 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.545 1.153 . . . . 0.0 110.279 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . 0.417 ' N ' ' O ' ' A' ' 44' ' ' VAL . 1.4 m -76.83 -37.58 55.4 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 0.0 109.975 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . 0.43 ' O ' ' HB2' ' A' ' 52' ' ' ALA . 0.1 OUTLIER -53.94 -50.22 66.95 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.543 1.152 . . . . 0.0 108.273 -179.976 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -72.31 -23.03 61.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.546 1.154 . . . . 0.0 109.297 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -74.51 -52.5 7.35 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.51 1.131 . . . . 0.0 111.034 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . 0.455 ' CB ' ' CZ2' ' A' ' 21' ' ' TRP . 9.1 tpt -86.55 22.6 1.84 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 0.782 . . . . 0.0 111.042 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.43 ' HB2' ' O ' ' A' ' 48' ' ' CYS . . . -86.45 43.01 1.04 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.492 1.12 . . . . 0.0 109.278 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.418 ' OD1' ' N ' ' A' ' 54' ' ' SER . 33.2 t0 54.15 170.44 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.276 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.418 ' N ' ' OD1' ' A' ' 53' ' ' ASP . 0.4 OUTLIER -101.09 -88.71 0.36 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.483 1.114 . . . . 0.0 110.045 179.942 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -116.56 -8.49 11.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.456 1.098 . . . . 0.0 109.267 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 40.5 m-20 -74.84 -3.63 33.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 109.319 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -83.06 155.55 67.3 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 108.327 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 56.14 4.14 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.49 1.784 . . . . 0.0 111.039 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 5.5 m120 -103.57 169.01 8.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.276 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.449 0 O-C-N 124.482 1.114 . . . . 0.0 109.322 179.998 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -87.47 -34.7 7.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 109.31 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -54.19 -29.24 45.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 110.317 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -74.44 -9.54 58.69 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.545 1.153 . . . . 0.0 109.331 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 20.5 m-85 -124.74 20.84 8.46 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.433 1.083 . . . . 0.0 111.011 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.455 ' CG ' ' HB3' ' A' ' 17' ' ' SER . 3.3 t80 -78.72 118.89 21.22 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.496 1.123 . . . . 0.0 110.966 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.423 ' O ' ' HB2' ' A' ' 11' ' ' CYS . 69.9 p -104.2 87.44 2.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 110.431 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 14.3 t -72.23 -2.1 17.64 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.51 1.131 . . . . 0.0 109.999 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -77.66 -49.47 14.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.458 1.099 . . . . 0.0 110.314 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.97 HG23 ' O ' ' A' ' 38' ' ' GLN . 0.6 OUTLIER -97.82 -23.96 15.64 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.123 . . . . 0.0 110.402 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.45 ' SG ' ' HD2' ' A' ' 12' ' ' PRO . 36.8 t -63.82 137.65 97.16 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.117 . . . . 0.0 108.305 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.45 ' HD2' ' SG ' ' A' ' 11' ' ' CYS . 18.4 Cg_endo -74.99 -8.85 20.45 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.494 1.786 . . . . 0.0 111.025 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.407 ' CD2' ' HB2' ' A' ' 20' ' ' ALA . 90.7 m-85 -113.46 149.4 34.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.56 1.162 . . . . 0.0 110.989 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.459 ' HD3' ' N ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -137.22 32.22 2.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 109.309 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.566 ' HB3' HD22 ' A' ' 19' ' ' LEU . 19.3 t-20 -102.76 -53.04 2.94 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 109.322 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -165.63 164.03 19.18 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.489 1.118 . . . . 0.0 109.289 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.455 ' HB3' ' CG ' ' A' ' 6' ' ' TYR . 58.7 p -77.83 -27.47 49.97 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.464 1.102 . . . . 0.0 110.007 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.436 ' O ' ' N ' ' A' ' 22' ' ' ASP . 52.7 mt-30 -73.59 -29.86 62.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.446 1.091 . . . . 0.0 110.298 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.566 HD22 ' HB3' ' A' ' 15' ' ' ASN . 7.3 tp -64.35 -65.53 0.66 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 0.0 109.341 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.557 ' CB ' ' SG ' ' A' ' 39' ' ' CYS . . . -55.63 -35.08 65.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 109.33 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' TRP . . . . . 0.599 ' CE3' ' OG ' ' A' ' 25' ' ' SER . 12.0 t-105 -69.8 -37.87 76.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.135 . . . . 0.0 108.013 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.436 ' N ' ' O ' ' A' ' 18' ' ' GLN . 7.7 t70 -70.14 -11.92 61.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.438 1.087 . . . . 0.0 109.297 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.409 ' HB ' ' O ' ' A' ' 20' ' ' ALA . 1.0 OUTLIER -88.18 -68.63 0.75 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 110.38 -179.987 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -73.17 -58.89 2.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 108.253 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.599 ' OG ' ' CE3' ' A' ' 21' ' ' TRP . 0.0 OUTLIER -77.46 52.99 1.01 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.509 1.131 . . . . 0.0 110.027 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -133.81 -125.85 2.62 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.475 1.11 . . . . 0.0 110.942 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.412 ' O ' ' SG ' ' A' ' 57' ' ' CYS . . . -105.97 -55.43 0.69 Allowed Glycine 0 CA--C 1.53 1.01 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 59.7 p -130.62 -152.83 0.53 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 0.766 . . . . 0.0 110.351 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 93.42 -110.77 4.01 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.518 1.136 . . . . 0.0 110.99 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -128.08 48.33 2.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 0.766 . . . . 0.0 109.279 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.406 ' SG ' ' O ' ' A' ' 52' ' ' ALA . 5.0 p -69.07 124.92 25.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 0.0 108.256 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -170.35 176.75 43.88 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.46 1.1 . . . . 0.0 111.033 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.467 ' HA ' ' SG ' ' A' ' 36' ' ' CYS . 81.2 m -85.63 -3.07 58.78 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 0.748 . . . . 0.0 110.4 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.485 ' O ' ' HB2' ' A' ' 38' ' ' GLN . 81.3 t -81.17 -35.77 14.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 109.276 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -63.36 -12.62 31.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 108.305 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.676 ' SG ' ' HB2' ' A' ' 49' ' ' ALA . 79.2 m -54.17 -79.82 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 108.295 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -86.8 42.5 3.16 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.556 1.16 . . . . 0.0 111.034 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.97 ' O ' HG23 ' A' ' 10' ' ' THR . 5.9 tp60 -123.2 -46.05 2.08 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 0.745 . . . . 0.0 110.314 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.621 ' HB3' ' CE1' ' A' ' 40' ' ' PHE . 0.5 OUTLIER -110.69 -27.13 9.05 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.491 1.119 . . . . 0.0 108.314 180.0 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.621 ' CE1' ' HB3' ' A' ' 39' ' ' CYS . 0.6 OUTLIER -135.15 -177.89 4.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 110.987 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.499 ' O ' ' HB ' ' A' ' 44' ' ' VAL . 3.1 m -141.28 156.58 45.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 109.981 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.708 ' CD2' ' HA ' ' A' ' 43' ' ' PRO . 0.2 OUTLIER -54.67 154.57 8.95 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 110.98 179.998 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.708 ' HA ' ' CD2' ' A' ' 42' ' ' PHE . 18.3 Cg_endo -74.99 8.15 10.25 Favored 'Cis proline' 0 C--N 1.36 1.151 0 C-N-CA 121.05 -2.479 . . . . 0.0 110.988 0.009 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.5 ' N ' ' HA ' ' A' ' 42' ' ' PHE . 2.1 t -71.29 -37.9 67.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.31 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.551 ' HB3' ' N ' ' A' ' 42' ' ' PHE . 0.2 OUTLIER -52.87 -18.34 1.87 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.553 1.158 . . . . 0.0 109.977 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.586 ' HB2' ' CE1' ' A' ' 42' ' ' PHE . 1.8 tt0 -88.15 -23.68 23.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 110.292 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -76.02 -38.5 57.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 110.008 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . 0.518 ' O ' ' HB2' ' A' ' 52' ' ' ALA . 1.6 t -53.14 -65.39 0.57 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 108.32 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.676 ' HB2' ' SG ' ' A' ' 36' ' ' CYS . . . -56.77 -18.47 12.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.253 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -81.49 -57.67 2.71 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.481 1.113 . . . . 0.0 111.041 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . 0.43 ' O ' ' HA ' ' A' ' 25' ' ' SER . 0.4 OUTLIER -86.14 19.91 2.5 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.493 0.761 . . . . 0.0 111.03 179.94 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.518 ' HB2' ' O ' ' A' ' 48' ' ' CYS . . . -86.25 15.81 4.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.549 1.156 . . . . 0.0 109.294 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.489 ' OD2' ' CB ' ' A' ' 56' ' ' ASP . 0.3 OUTLIER 60.65 139.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 109.335 -179.975 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -109.1 -83.23 0.56 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.104 . . . . 0.0 110.013 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -84.26 -7.26 59.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 109.302 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.489 ' CB ' ' OD2' ' A' ' 53' ' ' ASP . 29.0 m-20 -93.25 -14.19 27.33 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.517 1.136 . . . . 0.0 109.244 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . 0.452 ' CB ' ' HB3' ' A' ' 53' ' ' ASP . 0.0 OUTLIER -83.77 163.57 48.44 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 0.0 108.266 -179.966 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 55.85 4.1 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.505 1.792 . . . . 0.0 110.968 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 5.8 m-20 -101.46 170.82 7.96 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.307 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.538 1.149 . . . . 0.0 109.29 -179.98 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.295 -0.632 . . . . 0.0 109.295 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.425 HG13 ' OG ' ' A' ' 17' ' ' SER . 0.6 OUTLIER -78.66 -43.8 25.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.117 . . . . 0.0 109.26 -179.93 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -53.18 -24.74 11.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 110.278 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -75.56 -1.52 24.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.336 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.404 ' O ' ' HA ' ' A' ' 40' ' ' PHE . 22.4 m-85 -135.36 21.19 3.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 110.988 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.542 ' CG ' ' HB2' ' A' ' 17' ' ' SER . 2.5 t80 -78.21 117.6 19.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 111.017 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.403 ' O ' ' HB2' ' A' ' 11' ' ' CYS . 9.5 p -104.08 90.4 3.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.147 . . . . 0.0 110.454 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 7.0 t -75.0 -0.31 18.39 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 110.015 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -77.65 -48.91 15.66 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.446 1.091 . . . . 0.0 110.296 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.864 HG23 ' O ' ' A' ' 38' ' ' GLN . 0.4 OUTLIER -98.93 -24.44 14.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.139 . . . . 0.0 110.416 179.964 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.453 ' SG ' ' HD2' ' A' ' 12' ' ' PRO . 38.2 t -64.4 137.58 97.17 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 0.0 108.308 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.453 ' HD2' ' SG ' ' A' ' 11' ' ' CYS . 18.4 Cg_endo -74.9 -3.29 13.69 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.459 1.768 . . . . 0.0 111.043 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.406 ' CD2' ' HB2' ' A' ' 20' ' ' ALA . 94.9 m-85 -117.55 152.39 35.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.559 1.162 . . . . 0.0 111.037 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.431 ' HD3' ' N ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -145.14 31.4 1.12 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 109.332 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -107.3 -47.72 3.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.249 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -165.31 150.37 9.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 109.318 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.542 ' HB2' ' CG ' ' A' ' 6' ' ' TYR . 12.3 t -68.45 -35.34 77.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.992 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.417 ' O ' ' N ' ' A' ' 22' ' ' ASP . 3.1 tt0 -64.88 -35.55 81.49 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 110.257 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 18.6 tp -57.46 -63.14 1.33 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 109.308 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.547 ' CB ' ' SG ' ' A' ' 39' ' ' CYS . . . -56.25 -37.49 69.85 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.547 1.154 . . . . 0.0 109.283 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' TRP . . . . . 0.543 ' CE2' ' HB2' ' A' ' 25' ' ' SER . 6.8 t-105 -64.65 -38.99 92.87 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 107.962 -1.125 . . . . 0.0 107.962 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.417 ' N ' ' O ' ' A' ' 18' ' ' GLN . 1.4 t0 -68.29 -12.52 61.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 109.311 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.409 ' O ' ' O ' ' A' ' 28' ' ' THR . 0.7 OUTLIER -88.81 -50.27 6.32 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.117 . . . . 0.0 110.412 179.971 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.486 ' O ' ' CB ' ' A' ' 31' ' ' CYS . 0.0 OUTLIER -86.7 -72.51 0.5 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 108.341 179.963 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.543 ' HB2' ' CE2' ' A' ' 21' ' ' TRP . 0.0 OUTLIER -80.09 51.53 1.39 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 0.0 110.01 179.975 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -125.6 6.17 7.99 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.503 1.127 . . . . 0.0 111.005 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.406 ' O ' ' SG ' ' A' ' 57' ' ' CYS . . . 98.05 -31.73 7.64 Favored Glycine 0 CA--C 1.531 1.047 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.409 ' O ' ' O ' ' A' ' 23' ' ' THR . 69.4 p -132.16 -149.18 0.37 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.537 0.786 . . . . 0.0 110.412 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 70.3 -138.63 29.49 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.481 1.113 . . . . 0.0 111.006 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 18.8 p30 -102.84 41.3 1.26 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 0.776 . . . . 0.0 109.312 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.486 ' CB ' ' O ' ' A' ' 24' ' ' CYS . 1.0 OUTLIER -57.99 145.64 35.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.141 . . . . 0.0 108.317 179.975 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 170.24 -178.34 43.05 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.543 1.152 . . . . 0.0 110.958 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.504 ' HA ' ' SG ' ' A' ' 36' ' ' CYS . 88.9 m -85.44 -5.16 59.32 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.496 0.762 . . . . 0.0 110.441 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.472 ' O ' ' HB2' ' A' ' 38' ' ' GLN . 97.8 t -81.89 -38.31 15.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.54 1.15 . . . . 0.0 109.271 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -62.02 -14.98 40.91 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.478 1.111 . . . . 0.0 108.324 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.804 ' SG ' ' HB2' ' A' ' 49' ' ' ALA . 72.7 m -55.04 -57.52 11.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.117 . . . . 0.0 108.312 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -109.23 42.5 1.94 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.528 1.143 . . . . 0.0 110.983 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.864 ' O ' HG23 ' A' ' 10' ' ' THR . 2.7 tt0 -122.19 -48.54 2.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 0.776 . . . . 0.0 110.264 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.565 ' HB3' ' CE1' ' A' ' 40' ' ' PHE . 0.5 OUTLIER -109.85 -24.4 10.87 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.551 1.157 . . . . 0.0 108.286 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.565 ' CE1' ' HB3' ' A' ' 39' ' ' CYS . 1.0 OUTLIER -135.73 -178.66 5.23 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.511 1.132 . . . . 0.0 111.034 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.502 ' O ' ' HB ' ' A' ' 44' ' ' VAL . 1.0 OUTLIER -144.74 157.4 44.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 110.005 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.721 ' CD2' ' HA ' ' A' ' 43' ' ' PRO . 0.2 OUTLIER -54.4 153.83 9.45 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.532 1.145 . . . . 0.0 111.021 -179.992 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.721 ' HA ' ' CD2' ' A' ' 42' ' ' PHE . 18.3 Cg_endo -75.0 7.4 10.88 Favored 'Cis proline' 0 C--N 1.36 1.142 0 C-N-CA 121.069 -2.471 . . . . 0.0 110.971 0.046 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.502 ' HB ' ' O ' ' A' ' 41' ' ' SER . 2.1 t -70.78 -36.89 66.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.311 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.558 ' HB3' ' N ' ' A' ' 42' ' ' PHE . 0.1 OUTLIER -51.75 -18.53 1.27 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.129 . . . . 0.0 110.019 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.594 ' HB2' ' CE1' ' A' ' 42' ' ' PHE . 11.1 tp60 -87.66 -28.1 22.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 110.325 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . 0.44 ' N ' ' O ' ' A' ' 44' ' ' VAL . 12.9 m -71.57 -39.33 70.67 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.516 1.135 . . . . 0.0 110.044 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 1.1 t -53.09 -70.01 0.1 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.145 . . . . 0.0 108.32 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.804 ' HB2' ' SG ' ' A' ' 36' ' ' CYS . . . -55.24 -20.2 10.3 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 109.278 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -75.53 -56.46 4.61 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.481 1.113 . . . . 0.0 111.044 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . 0.465 ' HB3' ' CZ2' ' A' ' 21' ' ' TRP . 1.3 tpp -85.22 15.05 4.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.456 0.739 . . . . 0.0 111.016 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -91.24 31.36 1.13 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 109.305 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 59.9 163.34 0.05 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.462 1.101 . . . . 0.0 109.292 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -98.42 -77.14 0.52 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 110.0 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -114.42 -6.77 12.89 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.485 1.116 . . . . 0.0 109.326 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -74.11 -26.83 60.57 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.501 1.126 . . . . 0.0 109.3 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . 0.406 ' SG ' ' O ' ' A' ' 27' ' ' GLY . 0.0 OUTLIER -74.88 162.85 71.8 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 108.31 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 56.12 4.13 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.509 1.794 . . . . 0.0 110.978 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 37.9 m-20 -99.31 151.6 20.87 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 109.283 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.104 . . . . 0.0 109.349 -180.0 . . . . . . . . 0 0 . 1 stop_ save_