data_2op7_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 2op7 _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' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 110.27 -0.27 . . . . 0.0 110.27 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.0 143.35 83.91 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.544 1.153 . . . . 0.0 110.285 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.164 0 O-C-N 124.532 1.806 . . . . 0.0 111.001 179.972 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . 0.427 ' CD1' ' N ' ' A' ' 9' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 108.039 -1.097 . . . . 0.0 108.039 . . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.427 ' O ' ' N ' ' A' ' 22' ' ' VAL . 0.6 OUTLIER -126.25 128.17 46.76 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.485 1.116 . . . . 0.0 110.353 179.966 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 4.4 mt -120.76 120.77 63.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.49 1.119 . . . . 0.0 109.335 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 18.9 mmm-85 -113.97 136.37 52.98 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.575 1.172 . . . . 0.0 110.304 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.573 ' HA ' ' CB ' ' A' ' 19' ' ' ARG . 3.9 p90 -114.97 152.14 32.9 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.568 1.167 . . . . 0.0 111.006 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.8 m -139.97 -75.61 0.34 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.569 1.168 . . . . 0.0 110.418 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.464 ' O ' ' C ' ' A' ' 16' ' ' GLU . 0.0 OUTLIER -86.67 -179.88 6.66 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.47 1.106 . . . . 0.0 110.285 -179.972 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.464 ' C ' ' O ' ' A' ' 15' ' ' ARG . 8.2 tp10 -32.61 -59.03 0.33 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 110.242 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -144.41 38.48 1.3 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.512 1.132 . . . . 0.0 111.052 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.468 ' O ' ' CB ' ' A' ' 32' ' ' LYS . 24.8 t -89.75 -6.23 10.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.512 0.772 . . . . 0.0 109.349 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.573 ' CB ' ' HA ' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -43.4 164.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.521 1.138 . . . . 0.0 110.337 179.956 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . 0.505 ' CB ' ' O ' ' A' ' 30' ' ' THR . 0.1 OUTLIER -145.41 167.48 22.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 0.0 111.014 179.966 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.64 ' O ' ' N ' ' A' ' 30' ' ' THR . 0.9 OUTLIER -126.58 148.73 49.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.554 1.159 . . . . 0.0 110.995 -180.0 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.427 ' N ' ' O ' ' A' ' 10' ' ' GLU . 3.2 p -146.93 109.99 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.405 179.893 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.56 ' N ' ' O ' ' A' ' 28' ' ' THR . 2.3 t70 -79.42 157.75 27.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 109.309 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 36.7 t60 -40.17 -29.2 0.07 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.121 . . . . 0.0 109.558 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.652 ' C ' ' H ' ' A' ' 27' ' ' ARG . 0.6 OUTLIER -130.01 157.75 41.48 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 0.0 109.274 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 47.7 m -54.95 0.85 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.551 1.157 . . . . 0.0 110.46 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.652 ' H ' ' C ' ' A' ' 25' ' ' ASN . 2.8 mtp180 -55.47 -40.23 71.39 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.499 1.124 . . . . 0.0 110.398 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.56 ' O ' ' N ' ' A' ' 23' ' ' ASP . 0.9 OUTLIER -139.08 99.71 3.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.568 1.167 . . . . 0.0 110.382 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.458 ' HA ' ' O ' ' A' ' 21' ' ' PHE . 42.1 p -137.53 108.43 6.7 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.131 . . . . 0.0 110.404 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.64 ' N ' ' O ' ' A' ' 21' ' ' PHE . 0.9 OUTLIER -94.22 122.68 37.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.102 . . . . 0.0 110.356 -179.948 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.451 ' CG ' ' O ' ' A' ' 31' ' ' PHE . 32.0 p90 -117.55 120.09 37.0 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.511 1.132 . . . . 0.0 111.067 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.468 ' CB ' ' O ' ' A' ' 18' ' ' VAL . 0.1 OUTLIER -106.16 164.77 11.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 109.295 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . 0.417 ' O ' ' CG1' ' A' ' 18' ' ' VAL . 0.5 OUTLIER -45.71 142.91 3.34 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.123 . . . . 0.0 109.369 179.966 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.89 55.25 3.83 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.468 1.773 . . . . 0.0 111.027 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.526 0 O-C-N 124.461 1.101 . . . . 0.0 110.292 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . 0.448 ' CG ' ' N ' ' A' ' 3' ' ' GLU . 14.2 pt-20 . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 110.321 -0.251 . . . . 0.0 110.321 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . 0.448 ' N ' ' CG ' ' A' ' 2' ' ' GLU . 0.0 OUTLIER -91.7 142.1 26.36 Favored Pre-proline 0 C--N 1.323 -0.551 0 O-C-N 124.572 1.17 . . . . 0.0 110.32 179.937 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo . . . . . 0 C--N 1.36 1.169 0 O-C-N 124.461 1.769 . . . . 0.0 110.941 -179.992 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 107.937 -1.135 . . . . 0.0 107.937 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -121.17 126.24 49.19 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.534 1.146 . . . . 0.0 110.28 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 2.7 mp -121.16 128.07 75.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 109.276 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.568 ' CB ' ' CE2' ' A' ' 20' ' ' TYR . 0.0 OUTLIER -138.44 140.92 39.48 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.522 1.139 . . . . 0.0 110.299 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.516 ' HA ' ' HA ' ' A' ' 19' ' ' ARG . 17.9 p90 -128.96 161.59 29.56 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.542 1.151 . . . . 0.0 111.003 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.485 HG23 ' CG1' ' A' ' 18' ' ' VAL . 0.3 OUTLIER -141.34 -43.49 0.37 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 110.463 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.457 ' CB ' ' HB ' ' A' ' 18' ' ' VAL . 0.0 OUTLIER -95.49 -179.59 4.81 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.449 1.093 . . . . 0.0 110.28 179.971 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -39.36 -62.19 0.7 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.569 1.168 . . . . 0.0 110.275 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . 0.424 ' HA3' ' NH2' ' A' ' 19' ' ' ARG . . . -136.06 43.47 1.24 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.526 1.141 . . . . 0.0 111.063 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.485 ' CG1' HG23 ' A' ' 14' ' ' THR . 0.9 OUTLIER -88.52 -2.56 9.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.569 0.805 . . . . 0.0 109.279 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.516 ' HA ' ' HA ' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -36.01 125.48 0.74 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 110.305 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . 0.568 ' CE2' ' CB ' ' A' ' 12' ' ' ARG . 0.8 OUTLIER -116.8 163.4 16.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 111.021 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.688 ' O ' ' N ' ' A' ' 30' ' ' THR . 1.2 m-85 -131.24 142.65 50.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 110.969 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 65.6 t -145.24 102.61 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 0.0 109.293 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.513 ' N ' ' O ' ' A' ' 28' ' ' THR . 0.5 OUTLIER -75.35 152.2 38.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.446 1.092 . . . . 0.0 109.296 179.949 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 11.9 t60 -40.81 -27.35 0.05 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.442 1.088 . . . . 0.0 109.541 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.654 ' C ' ' H ' ' A' ' 27' ' ' ARG . 0.7 OUTLIER -128.6 159.35 35.83 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 109.307 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.6 t -54.78 1.72 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 110.401 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.654 ' H ' ' C ' ' A' ' 25' ' ' ASN . 1.5 mtt180 -53.66 -43.69 69.03 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.493 1.121 . . . . 0.0 110.28 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.513 ' O ' ' N ' ' A' ' 23' ' ' ASP . 0.8 OUTLIER -141.07 99.95 3.71 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.456 1.098 . . . . 0.0 110.434 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 6.6 t -133.22 103.28 5.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 110.354 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.688 ' N ' ' O ' ' A' ' 21' ' ' PHE . 0.9 OUTLIER -94.53 125.83 39.43 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 110.408 179.952 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 36.2 p90 -114.72 120.22 39.34 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.494 1.121 . . . . 0.0 110.942 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 7.5 mmtt -107.5 164.39 12.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.451 1.094 . . . . 0.0 109.324 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -47.15 145.19 3.67 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 109.238 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 52.13 2.98 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.563 1.822 . . . . 0.0 110.994 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.444 1.09 . . . . 0.0 110.31 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 110.297 -0.26 . . . . 0.0 110.297 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -72.88 144.96 86.07 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 0.0 110.282 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo . . . . . 0 C--N 1.36 1.149 0 O-C-N 124.58 1.831 . . . . 0.0 110.949 -179.975 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . 0.602 ' CD1' ' OD1' ' A' ' 23' ' ' ASP . 39.1 m0 . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -138.6 120.65 15.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 110.363 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.451 HG23 ' CD1' ' A' ' 21' ' ' PHE . 6.6 mt -120.37 121.66 66.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.473 1.108 . . . . 0.0 109.351 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.41 ' HB3' ' CE1' ' A' ' 20' ' ' TYR . 0.3 OUTLIER -118.47 140.0 50.55 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.504 1.128 . . . . 0.0 110.271 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.612 ' CD1' ' N ' ' A' ' 13' ' ' TYR . 0.3 OUTLIER -120.34 154.03 35.62 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.508 1.13 . . . . 0.0 111.027 179.954 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.485 ' CG2' HG13 ' A' ' 18' ' ' VAL . 0.0 OUTLIER -141.08 -63.95 0.46 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.473 1.108 . . . . 0.0 110.406 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.483 ' CB ' ' HB ' ' A' ' 18' ' ' VAL . 0.4 OUTLIER -95.53 -179.94 4.93 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.503 1.127 . . . . 0.0 110.302 -179.956 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.439 ' C ' ' O ' ' A' ' 15' ' ' ARG . 1.4 pp20? -35.76 -55.07 0.72 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.508 1.13 . . . . 0.0 110.33 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -146.12 36.43 1.3 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.49 1.118 . . . . 0.0 111.052 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.511 ' O ' ' CB ' ' A' ' 32' ' ' LYS . 4.3 t -89.54 -5.83 10.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.521 0.777 . . . . 0.0 109.282 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.59 ' CB ' ' HA ' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -47.58 163.1 0.05 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.572 1.17 . . . . 0.0 110.323 -179.956 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . 0.501 ' CB ' ' O ' ' A' ' 30' ' ' THR . 0.1 OUTLIER -145.17 167.66 22.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.44 1.088 . . . . 0.0 111.053 -179.971 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.625 ' O ' ' N ' ' A' ' 30' ' ' THR . 0.8 OUTLIER -126.26 147.7 49.64 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.396 1.06 . . . . 0.0 111.024 -179.954 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 92.0 t -145.98 107.51 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.448 1.092 . . . . 0.0 109.291 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.602 ' OD1' ' CD1' ' A' ' 9' ' ' TRP . 1.8 t70 -74.96 157.22 35.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.11 . . . . 0.0 109.323 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . 0.408 ' C ' ' O ' ' A' ' 23' ' ' ASP . 13.3 t-160 -39.27 -29.5 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.556 1.16 . . . . 0.0 109.555 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.663 ' C ' ' H ' ' A' ' 27' ' ' ARG . 1.0 OUTLIER -129.91 157.7 41.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 0.0 109.313 -179.92 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.426 ' HA ' ' CG2' ' A' ' 29' ' ' THR . 15.0 t -54.7 0.92 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.494 1.121 . . . . 0.0 110.443 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.663 ' H ' ' C ' ' A' ' 25' ' ' ASN . 0.7 OUTLIER -55.4 -39.92 70.77 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.553 1.158 . . . . 0.0 110.319 179.966 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.528 ' O ' ' N ' ' A' ' 23' ' ' ASP . 1.1 m -139.01 100.79 4.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 110.394 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.463 ' HA ' ' O ' ' A' ' 21' ' ' PHE . 66.2 p -136.38 109.8 7.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 0.0 110.434 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.625 ' N ' ' O ' ' A' ' 21' ' ' PHE . 0.9 OUTLIER -94.51 124.44 38.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 110.384 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -116.99 128.02 54.77 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.558 1.161 . . . . 0.0 110.992 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.511 ' CB ' ' O ' ' A' ' 18' ' ' VAL . 0.1 OUTLIER -106.16 165.16 11.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 109.255 -179.94 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -46.0 165.66 0.18 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.285 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -74.87 5.37 3.96 Favored 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.451 1.764 . . . . 0.0 111.055 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.544 1.152 . . . . 0.0 110.323 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . 0.457 ' CG ' ' N ' ' A' ' 3' ' ' GLU . 15.9 pt-20 . . . . . 0 N--CA 1.454 -0.275 0 N-CA-C 110.316 -0.253 . . . . 0.0 110.316 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . 0.457 ' N ' ' CG ' ' A' ' 2' ' ' GLU . 0.1 OUTLIER -90.19 146.86 35.68 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 110.298 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.166 0 O-C-N 124.51 1.795 . . . . 0.0 110.998 -179.977 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . 0.448 ' NE1' ' OD2' ' A' ' 23' ' ' ASP . 8.7 m-90 . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 108.019 -1.104 . . . . 0.0 108.019 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.413 ' O ' ' N ' ' A' ' 22' ' ' VAL . 0.9 OUTLIER -139.62 120.99 14.98 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 110.327 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 5.6 mt -120.1 121.63 66.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.104 . . . . 0.0 109.28 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 15.6 mmm180 -115.54 134.33 55.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.527 1.142 . . . . 0.0 110.327 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.544 ' HA ' ' HA ' ' A' ' 19' ' ' ARG . 6.7 p90 -114.5 150.47 34.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.422 1.076 . . . . 0.0 111.038 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 7.5 m -140.04 -89.49 0.18 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 110.417 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.479 ' CD ' ' O ' ' A' ' 35' ' ' ARG . 0.0 OUTLIER -69.55 -178.79 1.52 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.503 1.127 . . . . 0.0 110.297 179.942 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.474 ' C ' ' O ' ' A' ' 15' ' ' ARG . 3.0 pt-20 -32.74 -61.14 0.29 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.575 1.172 . . . . 0.0 110.299 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -144.36 41.41 1.1 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.453 1.096 . . . . 0.0 111.05 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.478 ' HB ' ' CB ' ' A' ' 15' ' ' ARG . 0.5 OUTLIER -89.25 -6.15 10.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.553 0.796 . . . . 0.0 109.323 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.544 ' HA ' ' HA ' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -41.7 162.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 110.277 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . 0.51 ' CB ' ' O ' ' A' ' 30' ' ' THR . 0.1 OUTLIER -148.4 166.7 27.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.437 1.086 . . . . 0.0 111.027 179.958 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.624 ' O ' ' N ' ' A' ' 30' ' ' THR . 0.8 OUTLIER -124.5 147.88 48.08 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.111 . . . . 0.0 111.022 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.413 ' N ' ' O ' ' A' ' 10' ' ' GLU . 71.6 t -146.69 106.81 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.13 . . . . 0.0 109.311 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.558 ' N ' ' O ' ' A' ' 28' ' ' THR . 3.5 t70 -74.83 156.86 36.02 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 0.0 109.301 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . 0.402 ' C ' ' O ' ' A' ' 23' ' ' ASP . 51.8 t60 -39.61 -28.75 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.54 1.15 . . . . 0.0 109.583 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.659 ' C ' ' H ' ' A' ' 27' ' ' ARG . 0.4 OUTLIER -129.44 156.91 43.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.284 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 2.6 t -55.31 1.0 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 110.34 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.659 ' H ' ' C ' ' A' ' 25' ' ' ASN . 16.0 ptp180 -56.51 -39.36 73.18 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 110.358 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.558 ' O ' ' N ' ' A' ' 23' ' ' ASP . 0.9 OUTLIER -138.08 100.32 4.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.585 1.178 . . . . 0.0 110.393 179.958 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.463 ' HA ' ' O ' ' A' ' 21' ' ' PHE . 1.0 OUTLIER -137.12 108.98 7.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.569 1.168 . . . . 0.0 110.405 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.624 ' N ' ' O ' ' A' ' 21' ' ' PHE . 0.9 OUTLIER -94.52 123.38 37.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.439 1.087 . . . . 0.0 110.383 -179.953 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 34.8 p90 -118.05 129.95 55.87 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.122 . . . . 0.0 111.07 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.424 ' CB ' ' O ' ' A' ' 18' ' ' VAL . 0.0 OUTLIER -106.18 164.51 11.94 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.502 1.126 . . . . 0.0 109.315 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . 0.507 ' C ' ' H ' ' A' ' 35' ' ' ARG . 4.7 m-20 -46.03 164.12 0.21 Allowed Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 109.299 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 30.07 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.484 1.781 . . . . 0.0 111.03 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.507 ' H ' ' C ' ' A' ' 33' ' ' ASP . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 110.268 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . 0.443 ' CG ' ' N ' ' A' ' 3' ' ' GLU . 15.6 pt-20 . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 110.338 -0.245 . . . . 0.0 110.338 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . 0.443 ' N ' ' CG ' ' A' ' 2' ' ' GLU . 0.5 OUTLIER -94.87 139.33 22.12 Favored Pre-proline 0 C--N 1.326 -0.424 0 O-C-N 124.551 1.157 . . . . 0.0 110.262 -179.952 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.359 1.131 0 O-C-N 124.56 1.821 . . . . 0.0 111.009 179.981 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . 0.596 ' CD1' ' CG ' ' A' ' 23' ' ' ASP . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 107.965 -1.124 . . . . 0.0 107.965 . . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -117.22 125.12 50.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.45 1.094 . . . . 0.0 110.305 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 3.7 mt -120.43 121.45 65.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.543 1.152 . . . . 0.0 109.28 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.442 ' HB3' ' CE1' ' A' ' 20' ' ' TYR . 13.3 tpp180 -115.94 139.03 50.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.442 1.089 . . . . 0.0 110.355 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.659 ' CD1' ' N ' ' A' ' 13' ' ' TYR . 0.1 OUTLIER -121.13 152.91 38.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.409 1.068 . . . . 0.0 110.986 -179.944 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.485 ' CG2' HG13 ' A' ' 18' ' ' VAL . 0.0 OUTLIER -140.58 -66.53 0.43 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.138 . . . . 0.0 110.389 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.459 ' O ' ' C ' ' A' ' 16' ' ' GLU . 0.8 OUTLIER -92.77 179.3 5.52 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.429 1.08 . . . . 0.0 110.353 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.459 ' C ' ' O ' ' A' ' 15' ' ' ARG . 33.4 tp10 -34.18 -57.59 0.48 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.468 1.105 . . . . 0.0 110.245 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -144.29 36.45 1.47 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.519 1.137 . . . . 0.0 110.999 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.485 HG13 ' CG2' ' A' ' 14' ' ' THR . 14.3 t -89.34 -4.43 10.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.437 0.728 . . . . 0.0 109.336 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.569 ' CB ' ' HA ' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -48.58 166.66 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 110.319 179.957 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . 0.477 ' C ' ' CD1' ' A' ' 21' ' ' PHE . 0.1 OUTLIER -147.2 167.21 24.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.425 1.078 . . . . 0.0 111.051 179.973 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.644 ' O ' ' N ' ' A' ' 30' ' ' THR . 0.6 OUTLIER -127.5 146.94 50.33 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.575 1.172 . . . . 0.0 110.998 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 7.6 p -145.68 109.75 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 109.362 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.596 ' CG ' ' CD1' ' A' ' 9' ' ' TRP . 0.1 OUTLIER -79.4 155.18 28.49 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.485 1.116 . . . . 0.0 109.276 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . 0.401 ' C ' ' O ' ' A' ' 23' ' ' ASP . 7.9 t-160 -39.81 -28.7 0.05 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.441 1.088 . . . . 0.0 109.549 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.661 ' C ' ' H ' ' A' ' 27' ' ' ARG . 2.5 m-20 -129.28 158.17 39.82 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.523 1.14 . . . . 0.0 109.259 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 8.2 t -54.59 1.32 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.451 1.094 . . . . 0.0 110.437 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.661 ' H ' ' C ' ' A' ' 25' ' ' ASN . 3.0 mtp180 -54.95 -42.58 72.49 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.449 1.093 . . . . 0.0 110.295 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.567 ' O ' ' N ' ' A' ' 23' ' ' ASP . 0.8 OUTLIER -137.71 100.67 4.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 110.359 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.42 ' HA ' ' O ' ' A' ' 21' ' ' PHE . 8.9 m -135.18 104.41 5.89 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.475 1.11 . . . . 0.0 110.438 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.644 ' N ' ' O ' ' A' ' 21' ' ' PHE . 1.0 OUTLIER -94.12 122.99 37.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.141 . . . . 0.0 110.427 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -117.5 120.55 38.45 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.488 1.117 . . . . 0.0 110.982 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.441 ' CE ' ' HA ' ' A' ' 18' ' ' VAL . 8.3 mmmt -105.78 163.78 12.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.312 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -46.94 147.2 2.37 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.604 1.19 . . . . 0.0 109.318 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 52.38 3.03 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.436 1.756 . . . . 0.0 110.983 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.472 ' CB ' HG22 ' A' ' 18' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 110.335 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . 0.451 ' CG ' ' N ' ' A' ' 3' ' ' GLU . 12.6 pt-20 . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 110.324 -0.25 . . . . 0.0 110.324 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . 0.451 ' N ' ' CG ' ' A' ' 2' ' ' GLU . 0.1 OUTLIER -91.55 148.18 36.86 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 110.308 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.132 0 O-C-N 124.511 1.795 . . . . 0.0 110.976 179.97 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . 0.606 ' CD1' ' OD1' ' A' ' 23' ' ' ASP . 16.7 m0 . . . . . 0 N--CA 1.452 -0.336 0 N-CA-C 108.048 -1.093 . . . . 0.0 108.048 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -142.32 120.25 12.02 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.443 1.089 . . . . 0.0 110.315 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.462 HG22 ' CD1' ' A' ' 21' ' ' PHE . 5.3 mt -120.61 121.79 66.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 109.278 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 19.6 mmt180 -117.5 132.57 56.52 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 110.311 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.543 ' HA ' ' HA ' ' A' ' 19' ' ' ARG . 9.6 p90 -115.1 148.03 39.46 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 110.977 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 5.6 m -139.69 -95.16 0.16 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.14 . . . . 0.0 110.356 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.487 ' O ' ' C ' ' A' ' 16' ' ' GLU . 0.0 OUTLIER -58.7 -179.5 0.06 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.482 1.114 . . . . 0.0 110.291 -179.953 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.487 ' C ' ' O ' ' A' ' 15' ' ' ARG . 34.7 tt0 -32.09 -61.01 0.26 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.13 . . . . 0.0 110.293 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -148.43 42.31 0.85 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.439 1.087 . . . . 0.0 111.019 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.524 ' O ' ' CB ' ' A' ' 32' ' ' LYS . 0.3 OUTLIER -88.98 -4.54 10.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 O-C-N 124.462 0.742 . . . . 0.0 109.32 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.543 ' HA ' ' HA ' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -38.5 158.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 110.27 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . 0.576 ' CD1' ' C ' ' A' ' 20' ' ' TYR . 1.5 p90 -142.99 162.05 36.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.113 . . . . 0.0 110.978 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.651 ' O ' ' N ' ' A' ' 30' ' ' THR . 0.6 OUTLIER -127.39 143.65 51.18 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.508 1.13 . . . . 0.0 110.974 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.517 HG21 ' CD1' ' A' ' 20' ' ' TYR . 63.9 t -145.44 107.0 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.533 1.145 . . . . 0.0 109.309 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.606 ' OD1' ' CD1' ' A' ' 9' ' ' TRP . 58.5 t0 -77.57 153.29 33.44 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.555 1.159 . . . . 0.0 109.297 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . 0.465 ' N ' ' OD1' ' A' ' 23' ' ' ASP . 72.8 t60 -39.79 -28.21 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.155 . . . . 0.0 109.649 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.658 ' C ' ' H ' ' A' ' 27' ' ' ARG . 4.0 m-20 -128.94 158.88 37.58 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.571 1.17 . . . . 0.0 109.241 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 5.2 t -55.0 1.65 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 110.347 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.658 ' H ' ' C ' ' A' ' 25' ' ' ASN . 0.0 OUTLIER -54.43 -42.97 71.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 110.309 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.565 HG21 ' CZ3' ' A' ' 9' ' ' TRP . 0.8 OUTLIER -139.23 100.51 4.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 0.0 110.384 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 16.9 m -134.53 105.4 6.51 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.464 1.103 . . . . 0.0 110.436 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.651 ' N ' ' O ' ' A' ' 21' ' ' PHE . 0.9 OUTLIER -93.0 127.02 38.37 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.507 1.129 . . . . 0.0 110.394 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -116.16 118.89 34.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.115 . . . . 0.0 110.968 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.524 ' CB ' ' O ' ' A' ' 18' ' ' VAL . 0.0 OUTLIER -107.31 164.71 11.95 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.484 1.115 . . . . 0.0 109.229 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -46.92 160.69 0.32 Allowed Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.549 1.156 . . . . 0.0 109.314 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 7.24 2.97 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.463 1.77 . . . . 0.0 110.97 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 110.276 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 14.7 pt-20 . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 110.259 -0.274 . . . . 0.0 110.259 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -103.67 156.2 35.89 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 110.311 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.359 1.13 0 O-C-N 124.498 1.788 . . . . 0.0 111.0 179.98 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . 0.55 ' CE3' ' OD2' ' A' ' 23' ' ' ASP . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 107.958 -1.127 . . . . 0.0 107.958 . . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -107.02 122.02 45.63 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.541 1.151 . . . . 0.0 110.336 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.564 HG22 ' CD1' ' A' ' 21' ' ' PHE . 19.6 mt -119.9 135.12 61.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.402 1.063 . . . . 0.0 109.326 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.584 ' HB3' ' CE2' ' A' ' 20' ' ' TYR . 5.2 tpt180 -138.1 123.01 18.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 110.294 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.563 ' CG ' ' HB3' ' A' ' 19' ' ' ARG . 3.2 m-85 -97.98 150.77 21.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.452 1.095 . . . . 0.0 110.978 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.498 ' OG1' ' N ' ' A' ' 15' ' ' ARG . 51.3 p -139.23 -103.71 0.17 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.107 . . . . 0.0 110.41 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.498 ' N ' ' OG1' ' A' ' 14' ' ' THR . 0.0 OUTLIER -61.85 -179.45 0.2 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 110.345 179.921 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.492 ' C ' ' O ' ' A' ' 15' ' ' ARG . 4.6 pt-20 -30.97 -59.98 0.21 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.551 1.157 . . . . 0.0 110.263 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -144.25 40.17 1.19 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.458 1.099 . . . . 0.0 110.995 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.472 ' O ' ' O ' ' A' ' 19' ' ' ARG . 2.8 t -89.42 -4.26 10.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.556 0.798 . . . . 0.0 109.34 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.577 ' HD3' ' CE1' ' A' ' 21' ' ' PHE . 4.0 ppt_? -36.91 159.48 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.607 1.192 . . . . 0.0 110.253 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . 0.6 ' CD1' ' C ' ' A' ' 20' ' ' TYR . 0.4 OUTLIER -149.36 155.91 41.23 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.524 1.14 . . . . 0.0 110.988 -179.973 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.641 ' O ' ' N ' ' A' ' 30' ' ' THR . 0.8 OUTLIER -128.95 148.19 50.91 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.502 1.126 . . . . 0.0 110.971 -179.937 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.418 HG23 ' CD1' ' A' ' 20' ' ' TYR . 94.8 t -146.84 105.55 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.587 1.18 . . . . 0.0 109.307 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.55 ' OD2' ' CE3' ' A' ' 9' ' ' TRP . 6.5 t0 -75.28 154.6 37.33 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.606 1.192 . . . . 0.0 109.313 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 5.3 t-80 -40.19 -28.05 0.05 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 109.602 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.65 ' C ' ' H ' ' A' ' 27' ' ' ARG . 45.6 m-20 -129.02 157.94 40.29 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 0.0 109.281 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 8.9 t -55.35 1.6 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 110.393 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.65 ' H ' ' C ' ' A' ' 25' ' ' ASN . 2.7 ptm85 -54.99 -42.46 72.49 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.454 1.096 . . . . 0.0 110.28 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.47 ' O ' ' N ' ' A' ' 23' ' ' ASP . 0.8 OUTLIER -139.19 100.02 3.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 110.39 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.414 ' HA ' ' O ' ' A' ' 21' ' ' PHE . 0.0 OUTLIER -135.59 104.52 5.83 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 0.0 110.409 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.641 ' N ' ' O ' ' A' ' 21' ' ' PHE . 1.0 OUTLIER -94.15 123.37 37.49 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.117 . . . . 0.0 110.428 180.0 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.418 ' O ' ' CG ' ' A' ' 31' ' ' PHE . 34.5 p90 -118.93 119.72 35.15 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.552 1.158 . . . . 0.0 110.982 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.459 ' CB ' ' O ' ' A' ' 18' ' ' VAL . 0.0 OUTLIER -107.8 164.27 12.4 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.581 1.175 . . . . 0.0 109.299 179.975 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . 0.412 ' O ' HG11 ' A' ' 18' ' ' VAL . 7.5 m-20 -47.0 146.26 2.86 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.555 1.159 . . . . 0.0 109.314 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 47.32 1.71 Allowed 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.473 1.775 . . . . 0.0 110.983 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.471 ' CB ' HG22 ' A' ' 18' ' ' VAL . 0.3 OUTLIER . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.468 1.105 . . . . 0.0 110.308 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . 0.441 ' CG ' ' N ' ' A' ' 3' ' ' GLU . 11.3 pt-20 . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 110.335 -0.246 . . . . 0.0 110.335 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . 0.441 ' N ' ' CG ' ' A' ' 2' ' ' GLU . 0.0 OUTLIER -93.6 142.67 25.45 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.456 1.097 . . . . 0.0 110.403 179.947 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.361 1.202 0 O-C-N 124.462 1.77 . . . . 0.0 111.003 -179.955 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . 0.441 ' CD1' ' N ' ' A' ' 9' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 108.01 -1.107 . . . . 0.0 108.01 . . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -124.42 125.53 44.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 110.27 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 3.1 mt -121.44 123.99 70.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.444 1.09 . . . . 0.0 109.353 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.435 ' O ' ' N ' ' A' ' 20' ' ' TYR . 0.3 OUTLIER -117.6 139.18 51.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.451 1.095 . . . . 0.0 110.31 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.542 ' HA ' ' CB ' ' A' ' 19' ' ' ARG . 3.6 p90 -113.99 151.26 32.65 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.482 1.114 . . . . 0.0 110.997 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.575 HG23 ' CE2' ' A' ' 20' ' ' TYR . 11.2 p -139.86 -62.95 0.51 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 110.431 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.502 ' N ' ' OG1' ' A' ' 14' ' ' THR . 0.0 OUTLIER -98.2 179.49 4.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.146 . . . . 0.0 110.351 179.968 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.445 ' C ' ' O ' ' A' ' 15' ' ' ARG . 0.0 OUTLIER -34.98 -52.39 0.55 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 110.313 179.968 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -149.72 36.32 0.99 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.526 1.141 . . . . 0.0 110.966 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.536 ' O ' ' CE1' ' A' ' 20' ' ' TYR . 4.7 t -89.51 -7.4 10.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.539 0.787 . . . . 0.0 109.292 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.542 ' CB ' ' HA ' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -39.31 154.76 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.515 1.134 . . . . 0.0 110.201 -179.949 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . 0.575 ' CE2' HG23 ' A' ' 14' ' ' THR . 0.1 OUTLIER -130.18 167.41 18.44 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.545 1.153 . . . . 0.0 110.955 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.642 ' O ' ' N ' ' A' ' 30' ' ' THR . 1.3 m-85 -130.87 144.76 51.7 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.495 1.122 . . . . 0.0 111.002 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 91.9 t -146.51 108.58 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.458 1.099 . . . . 0.0 109.331 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.495 ' N ' ' O ' ' A' ' 28' ' ' THR . 3.8 t0 -74.77 159.05 32.48 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.568 1.168 . . . . 0.0 109.29 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . 0.403 ' C ' ' O ' ' A' ' 23' ' ' ASP . 57.3 t60 -39.8 -29.48 0.06 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.476 1.11 . . . . 0.0 109.631 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.664 ' C ' ' H ' ' A' ' 27' ' ' ARG . 3.2 m120 -130.35 157.57 42.21 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.472 1.107 . . . . 0.0 109.247 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 8.8 t -54.91 1.12 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.56 1.162 . . . . 0.0 110.418 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.664 ' H ' ' C ' ' A' ' 25' ' ' ASN . 0.0 OUTLIER -55.51 -40.82 72.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 110.294 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.495 ' O ' ' N ' ' A' ' 23' ' ' ASP . 0.8 OUTLIER -137.57 100.75 4.3 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.503 1.127 . . . . 0.0 110.416 -179.967 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.477 ' HA ' ' O ' ' A' ' 21' ' ' PHE . 1.5 t -137.3 116.27 12.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 110.463 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.642 ' N ' ' O ' ' A' ' 21' ' ' PHE . 0.9 OUTLIER -95.68 125.41 40.24 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.456 1.098 . . . . 0.0 110.44 -179.929 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.475 ' O ' ' CD2' ' A' ' 31' ' ' PHE . 49.0 p90 -119.44 118.23 30.56 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.561 1.163 . . . . 0.0 111.064 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -108.22 162.48 14.04 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.436 1.085 . . . . 0.0 109.291 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -49.37 153.9 1.68 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 109.234 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.13 53.84 3.52 Favored 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.549 1.815 . . . . 0.0 111.005 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 8.9 mmt180 . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.12 . . . . 0.0 110.334 179.963 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.454 -0.245 0 N-CA-C 110.323 -0.251 . . . . 0.0 110.323 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -85.25 141.38 37.11 Favored Pre-proline 0 C--N 1.326 -0.433 0 O-C-N 124.471 1.107 . . . . 0.0 110.3 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.359 1.099 0 O-C-N 124.465 1.771 . . . . 0.0 110.983 179.963 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . 0.466 ' CD1' ' N ' ' A' ' 9' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.271 0 N-CA-C 108.007 -1.108 . . . . 0.0 108.007 . . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.483 ' HB3' ' CG1' ' A' ' 22' ' ' VAL . 1.1 tt0 -119.55 120.51 36.96 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.507 1.13 . . . . 0.0 110.253 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 3.1 mt -120.67 131.04 73.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.512 1.133 . . . . 0.0 109.312 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.594 ' HB3' ' CE2' ' A' ' 20' ' ' TYR . 0.0 OUTLIER -137.14 121.89 18.66 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.502 1.126 . . . . 0.0 110.227 -179.95 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.526 ' CG ' ' HB3' ' A' ' 19' ' ' ARG . 3.5 m-30 -92.78 151.1 20.21 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.521 1.138 . . . . 0.0 110.98 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 94.9 m -137.83 -109.23 0.18 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 110.373 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.47 ' CB ' ' HB ' ' A' ' 18' ' ' VAL . 0.2 OUTLIER -57.01 179.71 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.527 1.142 . . . . 0.0 110.296 180.0 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.463 ' C ' ' O ' ' A' ' 15' ' ' ARG . 4.3 pt-20 -33.73 -57.05 0.45 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 110.254 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -142.16 39.05 1.41 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.491 1.12 . . . . 0.0 111.019 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.505 ' O ' ' CB ' ' A' ' 32' ' ' LYS . 2.1 t -89.88 -4.9 10.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.466 0.745 . . . . 0.0 109.26 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.526 ' HB3' ' CG ' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -37.65 161.22 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 110.323 179.962 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . 0.594 ' CE2' ' HB3' ' A' ' 12' ' ' ARG . 2.1 p90 -152.62 164.62 37.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 110.981 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.626 ' O ' ' N ' ' A' ' 30' ' ' THR . 1.0 OUTLIER -139.48 148.32 42.54 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.561 1.163 . . . . 0.0 111.047 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.483 ' CG1' ' HB3' ' A' ' 10' ' ' GLU . 7.5 p -145.41 112.42 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.243 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.522 ' N ' ' O ' ' A' ' 28' ' ' THR . 7.4 t0 -79.95 156.15 27.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.12 . . . . 0.0 109.301 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 13.3 t-160 -40.57 -28.4 0.07 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 109.601 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.658 ' C ' ' H ' ' A' ' 27' ' ' ARG . 12.0 m120 -129.61 157.93 40.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.135 . . . . 0.0 109.267 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 10.0 t -55.14 1.32 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.491 1.119 . . . . 0.0 110.454 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.658 ' H ' ' C ' ' A' ' 25' ' ' ASN . 9.5 ptm180 -55.33 -42.63 74.05 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.431 1.082 . . . . 0.0 110.344 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.522 ' O ' ' N ' ' A' ' 23' ' ' ASP . 0.8 OUTLIER -137.87 99.83 4.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.12 . . . . 0.0 110.381 179.964 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 12.7 t -137.27 111.15 8.22 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.546 1.154 . . . . 0.0 110.391 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.626 ' N ' ' O ' ' A' ' 21' ' ' PHE . 0.9 OUTLIER -93.81 125.86 38.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 110.412 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -115.24 122.99 47.69 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.432 1.082 . . . . 0.0 111.025 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.505 ' CB ' ' O ' ' A' ' 18' ' ' VAL . 0.0 OUTLIER -106.7 164.53 12.01 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.474 1.109 . . . . 0.0 109.254 -179.971 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -46.76 168.67 0.12 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 109.294 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.06 3.68 5.43 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.477 1.777 . . . . 0.0 110.972 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.51 1.131 . . . . 0.0 110.266 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . 0.452 ' CG ' ' N ' ' A' ' 3' ' ' GLU . 11.6 pt-20 . . . . . 0 N--CA 1.454 -0.27 0 N-CA-C 110.274 -0.269 . . . . 0.0 110.274 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . 0.452 ' N ' ' CG ' ' A' ' 2' ' ' GLU . 0.0 OUTLIER -88.96 171.73 8.61 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.539 1.149 . . . . 0.0 110.273 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.168 0 O-C-N 124.485 1.781 . . . . 0.0 111.049 179.936 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . 0.403 ' N ' ' CE3' ' A' ' 9' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.254 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 . . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -105.35 126.63 52.32 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.555 1.159 . . . . 0.0 110.306 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 6.9 mt -120.33 122.06 67.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 0.0 109.264 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.411 ' O ' ' N ' ' A' ' 20' ' ' TYR . 7.0 mmm180 -120.2 140.12 51.62 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.452 1.095 . . . . 0.0 110.233 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.524 ' HA ' ' HA ' ' A' ' 19' ' ' ARG . 2.5 p90 -114.51 151.7 32.9 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.456 1.098 . . . . 0.0 111.032 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.2 m -138.5 -79.13 0.35 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 110.377 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.49 ' O ' ' C ' ' A' ' 16' ' ' GLU . 0.0 OUTLIER -83.89 -179.16 7.2 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.48 1.113 . . . . 0.0 110.347 179.966 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.49 ' C ' ' O ' ' A' ' 15' ' ' ARG . 11.5 tp10 -30.69 -59.48 0.2 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.409 1.068 . . . . 0.0 110.292 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -147.1 39.48 1.06 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.456 1.097 . . . . 0.0 111.023 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.528 ' O ' ' CB ' ' A' ' 32' ' ' LYS . 0.5 OUTLIER -89.63 -4.73 10.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.506 0.768 . . . . 0.0 109.239 -179.953 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.524 ' HA ' ' HA ' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -38.07 157.86 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.456 1.098 . . . . 0.0 110.31 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . 0.589 ' CD1' ' C ' ' A' ' 20' ' ' TYR . 1.3 p90 -139.26 161.57 37.1 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.539 1.149 . . . . 0.0 111.086 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.659 ' O ' ' N ' ' A' ' 30' ' ' THR . 1.1 m-85 -127.64 143.81 51.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.411 1.07 . . . . 0.0 111.012 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.509 HG23 ' CE1' ' A' ' 20' ' ' TYR . 94.2 t -145.48 107.03 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.533 1.146 . . . . 0.0 109.259 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.572 ' N ' ' O ' ' A' ' 28' ' ' THR . 10.1 t0 -78.45 153.45 31.45 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 0.0 109.367 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 15.4 t-160 -40.24 -28.2 0.06 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.611 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.646 ' C ' ' H ' ' A' ' 27' ' ' ARG . 24.7 m-80 -128.95 159.31 36.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.455 1.097 . . . . 0.0 109.279 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 13.6 t -54.78 1.52 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.47 1.106 . . . . 0.0 110.437 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.646 ' H ' ' C ' ' A' ' 25' ' ' ASN . 1.4 mtt180 -54.2 -43.64 70.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 110.273 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.572 ' O ' ' N ' ' A' ' 23' ' ' ASP . 0.7 OUTLIER -138.93 100.0 3.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.578 1.174 . . . . 0.0 110.396 179.928 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 6.2 p -134.28 104.43 6.16 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.467 1.104 . . . . 0.0 110.445 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.659 ' N ' ' O ' ' A' ' 21' ' ' PHE . 0.9 OUTLIER -93.42 126.55 38.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 110.39 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 20.6 t80 -116.53 119.02 34.26 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.581 1.176 . . . . 0.0 111.058 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.528 ' CB ' ' O ' ' A' ' 18' ' ' VAL . 0.0 OUTLIER -107.41 164.13 12.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.328 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -47.56 157.24 0.58 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.152 . . . . 0.0 109.268 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 53.05 3.21 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.503 1.791 . . . . 0.0 110.996 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.421 ' CG ' HG23 ' A' ' 18' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.535 0 O-C-N 124.533 1.146 . . . . 0.0 110.344 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . 0.421 ' N ' HG21 ' A' ' 11' ' ' ILE . 2.2 t-20 . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.349 -0.611 . . . . 0.0 109.349 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -97.38 -77.9 0.49 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.493 1.12 . . . . 0.0 110.27 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.573 ' HB3' ' CD ' ' A' ' 6' ' ' PRO . 0.0 OUTLIER -73.0 143.35 83.91 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.544 1.153 . . . . 0.0 110.285 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.422 ' O ' ' C ' ' A' ' 5' ' ' LEU . 18.3 Cg_endo -75.01 56.42 4.25 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.532 1.806 . . . . 0.0 111.001 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.618 ' N ' ' HD3' ' A' ' 6' ' ' PRO . 7.2 mp 37.63 54.18 3.49 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.458 1.099 . . . . 0.0 109.297 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.618 ' HD3' ' N ' ' A' ' 5' ' ' LEU . 18.5 Cg_endo -74.93 -160.66 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.419 1.747 . . . . 0.0 110.989 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.503 ' CG ' ' N ' ' A' ' 8' ' ' GLY . 7.9 pt-20 -85.42 -47.12 10.27 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.51 1.131 . . . . 0.0 110.319 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.503 ' N ' ' CG ' ' A' ' 7' ' ' GLU . . . -45.39 -63.4 2.73 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.511 1.132 . . . . 0.0 110.99 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . 0.427 ' CD1' ' N ' ' A' ' 9' ' ' TRP . 0.0 OUTLIER -132.01 159.36 39.0 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.039 -1.097 . . . . 0.0 108.039 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.427 ' O ' ' N ' ' A' ' 22' ' ' VAL . 0.6 OUTLIER -126.25 128.17 46.76 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.485 1.116 . . . . 0.0 110.353 179.966 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.421 HG21 ' N ' ' A' ' 1' ' ' ASN . 4.4 mt -120.76 120.77 63.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.49 1.119 . . . . 0.0 109.335 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 18.9 mmm-85 -113.97 136.37 52.98 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.575 1.172 . . . . 0.0 110.304 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.573 ' HA ' ' CB ' ' A' ' 19' ' ' ARG . 3.9 p90 -114.97 152.14 32.9 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.568 1.167 . . . . 0.0 111.006 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.487 ' CG2' ' HA ' ' A' ' 36' ' ' ASN . 1.8 m -139.97 -75.61 0.34 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.569 1.168 . . . . 0.0 110.418 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.464 ' O ' ' C ' ' A' ' 16' ' ' GLU . 0.0 OUTLIER -86.67 -179.88 6.66 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.47 1.106 . . . . 0.0 110.285 -179.972 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.464 ' C ' ' O ' ' A' ' 15' ' ' ARG . 8.2 tp10 -32.61 -59.03 0.33 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 110.242 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -144.41 38.48 1.3 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.512 1.132 . . . . 0.0 111.052 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.468 ' O ' ' CB ' ' A' ' 32' ' ' LYS . 24.8 t -89.75 -6.23 10.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.512 0.772 . . . . 0.0 109.349 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.573 ' CB ' ' HA ' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -43.4 164.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.521 1.138 . . . . 0.0 110.337 179.956 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.505 ' CB ' ' O ' ' A' ' 30' ' ' THR . 0.1 OUTLIER -145.41 167.48 22.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 0.0 111.014 179.966 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.64 ' O ' ' N ' ' A' ' 30' ' ' THR . 0.9 OUTLIER -126.58 148.73 49.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.554 1.159 . . . . 0.0 110.995 -180.0 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.427 ' N ' ' O ' ' A' ' 10' ' ' GLU . 3.2 p -146.93 109.99 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.405 179.893 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.56 ' N ' ' O ' ' A' ' 28' ' ' THR . 2.3 t70 -79.42 157.75 27.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 109.309 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 36.7 t60 -40.17 -29.2 0.07 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.121 . . . . 0.0 109.558 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.652 ' C ' ' H ' ' A' ' 27' ' ' ARG . 0.6 OUTLIER -130.01 157.75 41.48 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 0.0 109.274 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 47.7 m -54.95 0.85 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.551 1.157 . . . . 0.0 110.46 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.652 ' H ' ' C ' ' A' ' 25' ' ' ASN . 2.8 mtp180 -55.47 -40.23 71.39 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.499 1.124 . . . . 0.0 110.398 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.56 ' O ' ' N ' ' A' ' 23' ' ' ASP . 0.9 OUTLIER -139.08 99.71 3.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.568 1.167 . . . . 0.0 110.382 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.458 ' HA ' ' O ' ' A' ' 21' ' ' PHE . 42.1 p -137.53 108.43 6.7 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.131 . . . . 0.0 110.404 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.64 ' N ' ' O ' ' A' ' 21' ' ' PHE . 0.9 OUTLIER -94.22 122.68 37.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.102 . . . . 0.0 110.356 -179.948 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.451 ' CG ' ' O ' ' A' ' 31' ' ' PHE . 32.0 p90 -117.55 120.09 37.0 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.511 1.132 . . . . 0.0 111.067 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.468 ' CB ' ' O ' ' A' ' 18' ' ' VAL . 0.1 OUTLIER -106.16 164.77 11.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 109.295 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . 0.417 ' O ' ' CG1' ' A' ' 18' ' ' VAL . 0.5 OUTLIER -45.71 142.91 3.34 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.123 . . . . 0.0 109.369 179.966 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.89 55.25 3.83 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.468 1.773 . . . . 0.0 111.027 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.44 -23.33 63.67 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.461 1.101 . . . . 0.0 110.292 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . 0.487 ' HA ' ' CG2' ' A' ' 14' ' ' THR . 9.2 p30 -60.34 -15.27 24.0 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.52 1.137 . . . . 0.0 109.345 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.486 ' O ' ' C ' ' A' ' 38' ' ' LYS . . . -82.1 39.6 2.62 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.45 1.094 . . . . 0.0 110.973 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.486 ' C ' ' O ' ' A' ' 37' ' ' GLY . 0.0 OUTLIER -34.03 124.14 0.47 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.421 0.718 . . . . 0.0 109.375 179.948 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.575 1.172 . . . . 0.0 110.032 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . 0.463 ' CB ' HG22 ' A' ' 11' ' ' ILE . 30.1 p-10 . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.448 ' CG ' ' N ' ' A' ' 3' ' ' GLU . 14.2 pt-20 -101.09 -50.81 3.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 110.321 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.545 ' HB3' ' CD ' ' A' ' 6' ' ' PRO . 0.0 OUTLIER -91.7 142.1 26.36 Favored Pre-proline 0 C--N 1.323 -0.551 0 O-C-N 124.572 1.17 . . . . 0.0 110.32 179.937 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.427 ' O ' ' C ' ' A' ' 5' ' ' LEU . 18.0 Cg_endo -75.0 54.88 3.78 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.461 1.769 . . . . 0.0 110.941 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.607 ' N ' ' HD3' ' A' ' 6' ' ' PRO . 0.2 OUTLIER 38.63 53.97 4.31 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.48 1.113 . . . . 0.0 109.278 179.973 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.607 ' HD3' ' N ' ' A' ' 5' ' ' LEU . 18.2 Cg_endo -74.96 -160.69 0.11 Allowed 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.519 1.8 . . . . 0.0 111.004 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.493 ' CG ' ' N ' ' A' ' 8' ' ' GLY . 13.6 pt-20 -81.07 -47.4 13.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 110.376 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.493 ' N ' ' CG ' ' A' ' 7' ' ' GLU . . . -43.83 -63.56 2.21 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.494 1.121 . . . . 0.0 110.981 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . 0.452 ' CE3' ' C ' ' A' ' 8' ' ' GLY . 0.0 OUTLIER -136.1 160.21 39.35 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 107.937 -1.135 . . . . 0.0 107.937 -179.92 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -121.17 126.24 49.19 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.534 1.146 . . . . 0.0 110.28 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.463 HG22 ' CB ' ' A' ' 1' ' ' ASN . 2.7 mp -121.16 128.07 75.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 109.276 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.568 ' CB ' ' CE2' ' A' ' 20' ' ' TYR . 0.0 OUTLIER -138.44 140.92 39.48 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.522 1.139 . . . . 0.0 110.299 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.516 ' HA ' ' HA ' ' A' ' 19' ' ' ARG . 17.9 p90 -128.96 161.59 29.56 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.542 1.151 . . . . 0.0 111.003 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.485 HG23 ' CG1' ' A' ' 18' ' ' VAL . 0.3 OUTLIER -141.34 -43.49 0.37 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 110.463 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.457 ' CB ' ' HB ' ' A' ' 18' ' ' VAL . 0.0 OUTLIER -95.49 -179.59 4.81 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.449 1.093 . . . . 0.0 110.28 179.971 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -39.36 -62.19 0.7 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.569 1.168 . . . . 0.0 110.275 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.424 ' HA3' ' NH2' ' A' ' 19' ' ' ARG . . . -136.06 43.47 1.24 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.526 1.141 . . . . 0.0 111.063 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.485 ' CG1' HG23 ' A' ' 14' ' ' THR . 0.9 OUTLIER -88.52 -2.56 9.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.569 0.805 . . . . 0.0 109.279 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.516 ' HA ' ' HA ' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -36.01 125.48 0.74 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 110.305 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.568 ' CE2' ' CB ' ' A' ' 12' ' ' ARG . 0.8 OUTLIER -116.8 163.4 16.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 111.021 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.688 ' O ' ' N ' ' A' ' 30' ' ' THR . 1.2 m-85 -131.24 142.65 50.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 110.969 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 65.6 t -145.24 102.61 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 0.0 109.293 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.513 ' N ' ' O ' ' A' ' 28' ' ' THR . 0.5 OUTLIER -75.35 152.2 38.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.446 1.092 . . . . 0.0 109.296 179.949 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 11.9 t60 -40.81 -27.35 0.05 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.442 1.088 . . . . 0.0 109.541 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.654 ' C ' ' H ' ' A' ' 27' ' ' ARG . 0.7 OUTLIER -128.6 159.35 35.83 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 109.307 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.6 t -54.78 1.72 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 110.401 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.654 ' H ' ' C ' ' A' ' 25' ' ' ASN . 1.5 mtt180 -53.66 -43.69 69.03 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.493 1.121 . . . . 0.0 110.28 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.513 ' O ' ' N ' ' A' ' 23' ' ' ASP . 0.8 OUTLIER -141.07 99.95 3.71 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.456 1.098 . . . . 0.0 110.434 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 6.6 t -133.22 103.28 5.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 110.354 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.688 ' N ' ' O ' ' A' ' 21' ' ' PHE . 0.9 OUTLIER -94.53 125.83 39.43 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 110.408 179.952 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 36.2 p90 -114.72 120.22 39.34 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.494 1.121 . . . . 0.0 110.942 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 7.5 mmtt -107.5 164.39 12.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.451 1.094 . . . . 0.0 109.324 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -47.15 145.19 3.67 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 109.238 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 52.13 2.98 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.563 1.822 . . . . 0.0 110.994 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -71.15 -24.55 62.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.444 1.09 . . . . 0.0 110.31 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 3.0 p-10 -60.6 -15.47 28.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 0.0 109.265 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.488 ' O ' ' C ' ' A' ' 38' ' ' LYS . . . -81.69 40.2 2.6 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.492 1.12 . . . . 0.0 110.955 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.488 ' C ' ' O ' ' A' ' 37' ' ' GLY . 6.6 mtmt -34.13 123.5 0.49 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 0.764 . . . . 0.0 109.305 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.403 1.064 . . . . 0.0 109.977 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . 0.419 ' N ' HG21 ' A' ' 11' ' ' ILE . 19.6 t30 . . . . . 0 N--CA 1.452 -0.354 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -99.05 -78.19 0.5 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.473 1.108 . . . . 0.0 110.297 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.533 ' HB3' ' CD ' ' A' ' 6' ' ' PRO . 0.3 OUTLIER -72.88 144.96 86.07 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 0.0 110.282 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.426 ' O ' ' C ' ' A' ' 5' ' ' LEU . 18.0 Cg_endo -75.03 55.19 3.89 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.58 1.831 . . . . 0.0 110.949 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.6 ' N ' ' HD3' ' A' ' 6' ' ' PRO . 5.7 mp 37.69 54.68 3.75 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.415 1.072 . . . . 0.0 109.276 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.6 ' HD3' ' N ' ' A' ' 5' ' ' LEU . 18.5 Cg_endo -74.97 -161.28 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.446 1.761 . . . . 0.0 111.039 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.45 ' CG ' ' N ' ' A' ' 8' ' ' GLY . 12.8 pt-20 -83.95 -50.84 7.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 0.0 110.289 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.45 ' N ' ' CG ' ' A' ' 7' ' ' GLU . . . -48.41 -69.67 0.92 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.492 1.12 . . . . 0.0 111.08 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . 0.602 ' CD1' ' OD1' ' A' ' 23' ' ' ASP . 39.1 m0 -115.18 161.04 18.96 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -138.6 120.65 15.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 110.363 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.506 ' O ' ' CD1' ' A' ' 5' ' ' LEU . 6.6 mt -120.37 121.66 66.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.473 1.108 . . . . 0.0 109.351 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.41 ' HB3' ' CE1' ' A' ' 20' ' ' TYR . 0.3 OUTLIER -118.47 140.0 50.55 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.504 1.128 . . . . 0.0 110.271 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.612 ' CD1' ' N ' ' A' ' 13' ' ' TYR . 0.3 OUTLIER -120.34 154.03 35.62 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.508 1.13 . . . . 0.0 111.027 179.954 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.559 ' CG2' ' CB ' ' A' ' 36' ' ' ASN . 0.0 OUTLIER -141.08 -63.95 0.46 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.473 1.108 . . . . 0.0 110.406 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.483 ' CB ' ' HB ' ' A' ' 18' ' ' VAL . 0.4 OUTLIER -95.53 -179.94 4.93 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.503 1.127 . . . . 0.0 110.302 -179.956 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.439 ' C ' ' O ' ' A' ' 15' ' ' ARG . 1.4 pp20? -35.76 -55.07 0.72 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.508 1.13 . . . . 0.0 110.33 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -146.12 36.43 1.3 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.49 1.118 . . . . 0.0 111.052 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.511 ' O ' ' CB ' ' A' ' 32' ' ' LYS . 4.3 t -89.54 -5.83 10.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.521 0.777 . . . . 0.0 109.282 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.59 ' CB ' ' HA ' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -47.58 163.1 0.05 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.572 1.17 . . . . 0.0 110.323 -179.956 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.501 ' CB ' ' O ' ' A' ' 30' ' ' THR . 0.1 OUTLIER -145.17 167.66 22.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.44 1.088 . . . . 0.0 111.053 -179.971 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.625 ' O ' ' N ' ' A' ' 30' ' ' THR . 0.8 OUTLIER -126.26 147.7 49.64 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.396 1.06 . . . . 0.0 111.024 -179.954 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 92.0 t -145.98 107.51 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.448 1.092 . . . . 0.0 109.291 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.602 ' OD1' ' CD1' ' A' ' 9' ' ' TRP . 1.8 t70 -74.96 157.22 35.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.11 . . . . 0.0 109.323 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . 0.408 ' C ' ' O ' ' A' ' 23' ' ' ASP . 13.3 t-160 -39.27 -29.5 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.556 1.16 . . . . 0.0 109.555 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.663 ' C ' ' H ' ' A' ' 27' ' ' ARG . 1.0 OUTLIER -129.91 157.7 41.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 0.0 109.313 -179.92 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.426 ' HA ' ' CG2' ' A' ' 29' ' ' THR . 15.0 t -54.7 0.92 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.494 1.121 . . . . 0.0 110.443 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.663 ' H ' ' C ' ' A' ' 25' ' ' ASN . 0.7 OUTLIER -55.4 -39.92 70.77 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.553 1.158 . . . . 0.0 110.319 179.966 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.528 ' O ' ' N ' ' A' ' 23' ' ' ASP . 1.1 m -139.01 100.79 4.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 110.394 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.463 ' HA ' ' O ' ' A' ' 21' ' ' PHE . 66.2 p -136.38 109.8 7.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 0.0 110.434 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.625 ' N ' ' O ' ' A' ' 21' ' ' PHE . 0.9 OUTLIER -94.51 124.44 38.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 110.384 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -116.99 128.02 54.77 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.558 1.161 . . . . 0.0 110.992 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.511 ' CB ' ' O ' ' A' ' 18' ' ' VAL . 0.1 OUTLIER -106.16 165.16 11.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 109.255 -179.94 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -46.0 165.66 0.18 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.285 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -74.87 5.37 3.96 Favored 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.451 1.764 . . . . 0.0 111.055 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.53 -24.97 5.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.544 1.152 . . . . 0.0 110.323 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . 0.559 ' CB ' ' CG2' ' A' ' 14' ' ' THR . 2.2 p-10 -63.81 -13.74 47.0 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.443 1.089 . . . . 0.0 109.304 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.489 ' O ' ' C ' ' A' ' 38' ' ' LYS . . . -83.0 40.09 2.79 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.475 1.11 . . . . 0.0 110.984 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.489 ' C ' ' O ' ' A' ' 37' ' ' GLY . 0.0 OUTLIER -33.72 141.64 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.548 0.793 . . . . 0.0 109.329 -179.972 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 109.95 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . 0.465 ' CB ' HG21 ' A' ' 11' ' ' ILE . 10.5 p-10 . . . . . 0 N--CA 1.452 -0.362 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.457 ' CG ' ' N ' ' A' ' 3' ' ' GLU . 15.9 pt-20 -82.75 -49.53 9.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.13 . . . . 0.0 110.316 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.532 ' HB3' ' CD ' ' A' ' 6' ' ' PRO . 0.1 OUTLIER -90.19 146.86 35.68 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 110.298 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.433 ' O ' ' C ' ' A' ' 5' ' ' LEU . 18.3 Cg_endo -74.99 54.33 3.6 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.51 1.795 . . . . 0.0 110.998 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.607 ' N ' ' HD3' ' A' ' 6' ' ' PRO . 7.3 mp 37.34 54.62 3.39 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.411 1.069 . . . . 0.0 109.33 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.607 ' HD3' ' N ' ' A' ' 5' ' ' LEU . 18.3 Cg_endo -75.04 -161.28 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.502 1.79 . . . . 0.0 110.927 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.437 ' CG ' ' N ' ' A' ' 8' ' ' GLY . 11.7 pt-20 -83.63 -46.21 12.61 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.505 1.128 . . . . 0.0 110.309 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.437 ' N ' ' CG ' ' A' ' 7' ' ' GLU . . . -50.58 -62.84 4.88 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.53 1.144 . . . . 0.0 111.016 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . 0.448 ' NE1' ' OD2' ' A' ' 23' ' ' ASP . 8.7 m-90 -123.6 160.54 26.86 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.019 -1.104 . . . . 0.0 108.019 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.413 ' O ' ' N ' ' A' ' 22' ' ' VAL . 0.9 OUTLIER -139.62 120.99 14.98 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 110.327 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.465 HG21 ' CB ' ' A' ' 1' ' ' ASN . 5.6 mt -120.1 121.63 66.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.104 . . . . 0.0 109.28 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.408 ' CD ' HD22 ' A' ' 5' ' ' LEU . 15.6 mmm180 -115.54 134.33 55.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.527 1.142 . . . . 0.0 110.327 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.544 ' HA ' ' HA ' ' A' ' 19' ' ' ARG . 6.7 p90 -114.5 150.47 34.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.422 1.076 . . . . 0.0 111.038 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.477 ' CG2' ' HA ' ' A' ' 36' ' ' ASN . 7.5 m -140.04 -89.49 0.18 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 110.417 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.479 ' CD ' ' O ' ' A' ' 35' ' ' ARG . 0.0 OUTLIER -69.55 -178.79 1.52 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.503 1.127 . . . . 0.0 110.297 179.942 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.474 ' C ' ' O ' ' A' ' 15' ' ' ARG . 3.0 pt-20 -32.74 -61.14 0.29 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.575 1.172 . . . . 0.0 110.299 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -144.36 41.41 1.1 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.453 1.096 . . . . 0.0 111.05 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.478 ' HB ' ' CB ' ' A' ' 15' ' ' ARG . 0.5 OUTLIER -89.25 -6.15 10.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.553 0.796 . . . . 0.0 109.323 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.544 ' HA ' ' HA ' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -41.7 162.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 110.277 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.51 ' CB ' ' O ' ' A' ' 30' ' ' THR . 0.1 OUTLIER -148.4 166.7 27.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.437 1.086 . . . . 0.0 111.027 179.958 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.624 ' O ' ' N ' ' A' ' 30' ' ' THR . 0.8 OUTLIER -124.5 147.88 48.08 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.111 . . . . 0.0 111.022 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.413 ' N ' ' O ' ' A' ' 10' ' ' GLU . 71.6 t -146.69 106.81 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.13 . . . . 0.0 109.311 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.558 ' N ' ' O ' ' A' ' 28' ' ' THR . 3.5 t70 -74.83 156.86 36.02 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 0.0 109.301 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . 0.402 ' C ' ' O ' ' A' ' 23' ' ' ASP . 51.8 t60 -39.61 -28.75 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.54 1.15 . . . . 0.0 109.583 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.659 ' C ' ' H ' ' A' ' 27' ' ' ARG . 0.4 OUTLIER -129.44 156.91 43.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.284 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 2.6 t -55.31 1.0 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 110.34 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.659 ' H ' ' C ' ' A' ' 25' ' ' ASN . 16.0 ptp180 -56.51 -39.36 73.18 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 110.358 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.558 ' O ' ' N ' ' A' ' 23' ' ' ASP . 0.9 OUTLIER -138.08 100.32 4.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.585 1.178 . . . . 0.0 110.393 179.958 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.463 ' HA ' ' O ' ' A' ' 21' ' ' PHE . 1.0 OUTLIER -137.12 108.98 7.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.569 1.168 . . . . 0.0 110.405 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.624 ' N ' ' O ' ' A' ' 21' ' ' PHE . 0.9 OUTLIER -94.52 123.38 37.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.439 1.087 . . . . 0.0 110.383 -179.953 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 34.8 p90 -118.05 129.95 55.87 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.122 . . . . 0.0 111.07 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.424 ' CB ' ' O ' ' A' ' 18' ' ' VAL . 0.0 OUTLIER -106.18 164.51 11.94 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.502 1.126 . . . . 0.0 109.315 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . 0.507 ' C ' ' H ' ' A' ' 35' ' ' ARG . 4.7 m-20 -46.03 164.12 0.21 Allowed Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 109.299 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 30.07 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.484 1.781 . . . . 0.0 111.03 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.507 ' H ' ' C ' ' A' ' 33' ' ' ASP . 0.0 OUTLIER -70.0 -28.93 65.91 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 110.268 -179.967 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . 0.477 ' HA ' ' CG2' ' A' ' 14' ' ' THR . 3.0 p-10 -60.96 -15.08 27.34 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.576 1.173 . . . . 0.0 109.317 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.485 ' O ' ' C ' ' A' ' 38' ' ' LYS . . . -81.83 39.82 2.59 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.53 1.144 . . . . 0.0 110.966 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.485 ' C ' ' O ' ' A' ' 37' ' ' GLY . 15.4 mtmt -34.09 120.43 0.44 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.583 0.813 . . . . 0.0 109.342 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 8.3 t . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.113 . . . . 0.0 109.941 -179.958 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . 0.43 ' ND2' ' O ' ' A' ' 1' ' ' ASN . 1.2 t30 . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.443 ' CG ' ' N ' ' A' ' 3' ' ' GLU . 15.6 pt-20 -76.35 -51.8 11.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 110.338 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.443 ' N ' ' CG ' ' A' ' 2' ' ' GLU . 0.5 OUTLIER -94.87 139.33 22.12 Favored Pre-proline 0 C--N 1.326 -0.424 0 O-C-N 124.551 1.157 . . . . 0.0 110.262 -179.952 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.472 ' O ' ' C ' ' A' ' 5' ' ' LEU . 18.2 Cg_endo -75.07 49.19 2.21 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.56 1.821 . . . . 0.0 111.009 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.543 ' N ' ' HD3' ' A' ' 6' ' ' PRO . 0.2 OUTLIER 34.77 58.07 2.26 Favored Pre-proline 0 C--N 1.326 -0.433 0 O-C-N 124.442 1.089 . . . . 0.0 109.32 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.543 ' HD3' ' N ' ' A' ' 5' ' ' LEU . 18.4 Cg_endo -74.96 -99.93 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.495 1.787 . . . . 0.0 111.011 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.44 ' CG ' ' N ' ' A' ' 8' ' ' GLY . 10.7 pt-20 -127.13 -54.69 1.38 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.134 . . . . 0.0 110.313 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.44 ' N ' ' CG ' ' A' ' 7' ' ' GLU . . . -37.78 -66.34 0.58 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.5 1.125 . . . . 0.0 111.059 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . 0.596 ' CD1' ' CG ' ' A' ' 23' ' ' ASP . 0.0 OUTLIER -137.46 159.08 42.96 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 107.965 -1.124 . . . . 0.0 107.965 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.445 ' HG3' ' CB ' ' A' ' 5' ' ' LEU . 0.0 OUTLIER -117.22 125.12 50.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.45 1.094 . . . . 0.0 110.305 179.968 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 3.7 mt -120.43 121.45 65.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.543 1.152 . . . . 0.0 109.28 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.442 ' HB3' ' CE1' ' A' ' 20' ' ' TYR . 13.3 tpp180 -115.94 139.03 50.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.442 1.089 . . . . 0.0 110.355 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.659 ' CD1' ' N ' ' A' ' 13' ' ' TYR . 0.1 OUTLIER -121.13 152.91 38.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.409 1.068 . . . . 0.0 110.986 -179.944 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.485 ' CG2' HG13 ' A' ' 18' ' ' VAL . 0.0 OUTLIER -140.58 -66.53 0.43 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.138 . . . . 0.0 110.389 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.459 ' O ' ' C ' ' A' ' 16' ' ' GLU . 0.8 OUTLIER -92.77 179.3 5.52 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.429 1.08 . . . . 0.0 110.353 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.459 ' C ' ' O ' ' A' ' 15' ' ' ARG . 33.4 tp10 -34.18 -57.59 0.48 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.468 1.105 . . . . 0.0 110.245 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -144.29 36.45 1.47 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.519 1.137 . . . . 0.0 110.999 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.485 HG13 ' CG2' ' A' ' 14' ' ' THR . 14.3 t -89.34 -4.43 10.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.437 0.728 . . . . 0.0 109.336 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.569 ' CB ' ' HA ' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -48.58 166.66 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 110.319 179.957 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.477 ' C ' ' CD1' ' A' ' 21' ' ' PHE . 0.1 OUTLIER -147.2 167.21 24.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.425 1.078 . . . . 0.0 111.051 179.973 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.644 ' O ' ' N ' ' A' ' 30' ' ' THR . 0.6 OUTLIER -127.5 146.94 50.33 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.575 1.172 . . . . 0.0 110.998 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 7.6 p -145.68 109.75 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 109.362 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.596 ' CG ' ' CD1' ' A' ' 9' ' ' TRP . 0.1 OUTLIER -79.4 155.18 28.49 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.485 1.116 . . . . 0.0 109.276 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . 0.401 ' C ' ' O ' ' A' ' 23' ' ' ASP . 7.9 t-160 -39.81 -28.7 0.05 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.441 1.088 . . . . 0.0 109.549 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.661 ' C ' ' H ' ' A' ' 27' ' ' ARG . 2.5 m-20 -129.28 158.17 39.82 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.523 1.14 . . . . 0.0 109.259 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 8.2 t -54.59 1.32 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.451 1.094 . . . . 0.0 110.437 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.661 ' H ' ' C ' ' A' ' 25' ' ' ASN . 3.0 mtp180 -54.95 -42.58 72.49 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.449 1.093 . . . . 0.0 110.295 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.567 ' O ' ' N ' ' A' ' 23' ' ' ASP . 0.8 OUTLIER -137.71 100.67 4.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 110.359 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.42 ' HA ' ' O ' ' A' ' 21' ' ' PHE . 8.9 m -135.18 104.41 5.89 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.475 1.11 . . . . 0.0 110.438 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.644 ' N ' ' O ' ' A' ' 21' ' ' PHE . 1.0 OUTLIER -94.12 122.99 37.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.141 . . . . 0.0 110.427 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -117.5 120.55 38.45 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.488 1.117 . . . . 0.0 110.982 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.441 ' CE ' ' HA ' ' A' ' 18' ' ' VAL . 8.3 mmmt -105.78 163.78 12.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.312 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -46.94 147.2 2.37 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.604 1.19 . . . . 0.0 109.318 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 52.38 3.03 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.436 1.756 . . . . 0.0 110.983 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.472 ' CB ' HG22 ' A' ' 18' ' ' VAL . 0.0 OUTLIER -70.73 -25.32 62.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 110.335 179.933 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . 0.462 ' HB3' ' CG2' ' A' ' 14' ' ' THR . 7.1 p-10 -64.64 -11.21 32.97 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.463 1.102 . . . . 0.0 109.305 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.491 ' O ' ' C ' ' A' ' 38' ' ' LYS . . . -82.54 36.86 2.61 Favored Glycine 0 CA--C 1.531 1.072 0 O-C-N 124.471 1.107 . . . . 0.0 110.953 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.491 ' C ' ' O ' ' A' ' 37' ' ' GLY . 0.3 OUTLIER -33.97 119.42 0.4 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 0.753 . . . . 0.0 109.316 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 4.5 m . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.57 1.169 . . . . 0.0 110.019 179.984 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . 0.482 ' CB ' HG23 ' A' ' 11' ' ' ILE . 13.4 p-10 . . . . . 0 N--CA 1.452 -0.344 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.451 ' CG ' ' N ' ' A' ' 3' ' ' GLU . 12.6 pt-20 -82.15 -50.19 9.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.409 1.068 . . . . 0.0 110.324 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.506 ' HB3' ' CD ' ' A' ' 6' ' ' PRO . 0.1 OUTLIER -91.55 148.18 36.86 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 110.308 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.464 ' O ' ' C ' ' A' ' 5' ' ' LEU . 18.2 Cg_endo -75.01 55.01 3.82 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.511 1.795 . . . . 0.0 110.976 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.586 ' N ' ' HD3' ' A' ' 6' ' ' PRO . 8.6 mp 36.0 55.87 2.76 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 109.279 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.586 ' HD3' ' N ' ' A' ' 5' ' ' LEU . 18.4 Cg_endo -74.97 -162.02 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.413 1.744 . . . . 0.0 111.0 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.422 ' HG3' ' N ' ' A' ' 8' ' ' GLY . 12.5 pt-20 -84.11 -45.96 12.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 110.29 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.422 ' N ' ' HG3' ' A' ' 7' ' ' GLU . . . -55.74 -66.94 2.48 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.496 1.123 . . . . 0.0 110.968 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . 0.606 ' CD1' ' OD1' ' A' ' 23' ' ' ASP . 16.7 m0 -109.24 159.07 17.24 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 108.048 -1.093 . . . . 0.0 108.048 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -142.32 120.25 12.02 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.443 1.089 . . . . 0.0 110.315 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.511 ' O ' ' CD1' ' A' ' 5' ' ' LEU . 5.3 mt -120.61 121.79 66.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 109.278 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 19.6 mmt180 -117.5 132.57 56.52 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 110.311 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.543 ' HA ' ' HA ' ' A' ' 19' ' ' ARG . 9.6 p90 -115.1 148.03 39.46 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 110.977 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.429 ' CG2' ' HA ' ' A' ' 36' ' ' ASN . 5.6 m -139.69 -95.16 0.16 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.14 . . . . 0.0 110.356 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.487 ' O ' ' C ' ' A' ' 16' ' ' GLU . 0.0 OUTLIER -58.7 -179.5 0.06 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.482 1.114 . . . . 0.0 110.291 -179.953 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.487 ' C ' ' O ' ' A' ' 15' ' ' ARG . 34.7 tt0 -32.09 -61.01 0.26 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.13 . . . . 0.0 110.293 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -148.43 42.31 0.85 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.439 1.087 . . . . 0.0 111.019 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.524 ' O ' ' CB ' ' A' ' 32' ' ' LYS . 0.3 OUTLIER -88.98 -4.54 10.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 O-C-N 124.462 0.742 . . . . 0.0 109.32 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.543 ' HA ' ' HA ' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -38.5 158.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 110.27 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.576 ' CD1' ' C ' ' A' ' 20' ' ' TYR . 1.5 p90 -142.99 162.05 36.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.113 . . . . 0.0 110.978 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.651 ' O ' ' N ' ' A' ' 30' ' ' THR . 0.6 OUTLIER -127.39 143.65 51.18 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.508 1.13 . . . . 0.0 110.974 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.517 HG21 ' CD1' ' A' ' 20' ' ' TYR . 63.9 t -145.44 107.0 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.533 1.145 . . . . 0.0 109.309 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.606 ' OD1' ' CD1' ' A' ' 9' ' ' TRP . 58.5 t0 -77.57 153.29 33.44 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.555 1.159 . . . . 0.0 109.297 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . 0.465 ' N ' ' OD1' ' A' ' 23' ' ' ASP . 72.8 t60 -39.79 -28.21 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.155 . . . . 0.0 109.649 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.658 ' C ' ' H ' ' A' ' 27' ' ' ARG . 4.0 m-20 -128.94 158.88 37.58 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.571 1.17 . . . . 0.0 109.241 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 5.2 t -55.0 1.65 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 110.347 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.658 ' H ' ' C ' ' A' ' 25' ' ' ASN . 0.0 OUTLIER -54.43 -42.97 71.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 110.309 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.565 HG21 ' CZ3' ' A' ' 9' ' ' TRP . 0.8 OUTLIER -139.23 100.51 4.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 0.0 110.384 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 16.9 m -134.53 105.4 6.51 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.464 1.103 . . . . 0.0 110.436 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.651 ' N ' ' O ' ' A' ' 21' ' ' PHE . 0.9 OUTLIER -93.0 127.02 38.37 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.507 1.129 . . . . 0.0 110.394 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -116.16 118.89 34.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.115 . . . . 0.0 110.968 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.524 ' CB ' ' O ' ' A' ' 18' ' ' VAL . 0.0 OUTLIER -107.31 164.71 11.95 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.484 1.115 . . . . 0.0 109.229 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -46.92 160.69 0.32 Allowed Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.549 1.156 . . . . 0.0 109.314 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 7.24 2.97 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.463 1.77 . . . . 0.0 110.97 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.89 -22.92 4.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 110.276 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . 0.429 ' HA ' ' CG2' ' A' ' 14' ' ' THR . 3.3 p30 -66.71 -9.74 39.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.449 1.093 . . . . 0.0 109.33 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.478 ' O ' ' C ' ' A' ' 38' ' ' LYS . . . -83.18 35.89 2.76 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.544 1.152 . . . . 0.0 110.99 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.478 ' C ' ' O ' ' A' ' 37' ' ' GLY . 0.7 OUTLIER -33.95 100.76 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.511 0.771 . . . . 0.0 109.297 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.412 ' N ' ' O ' ' A' ' 37' ' ' GLY . 57.4 p . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.455 1.097 . . . . 0.0 109.995 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . 0.611 ' N ' ' CZ ' ' A' ' 13' ' ' TYR . 5.0 p30 . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 14.7 pt-20 -42.16 -49.18 4.9 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.546 1.154 . . . . 0.0 110.259 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -103.67 156.2 35.89 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 110.311 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.527 ' O ' ' CD2' ' A' ' 5' ' ' LEU . 18.3 Cg_endo -75.06 -68.53 0.02 OUTLIER 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.498 1.788 . . . . 0.0 111.0 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.527 ' CD2' ' O ' ' A' ' 4' ' ' PRO . 0.2 OUTLIER 172.64 -57.72 0.0 OUTLIER Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.491 1.119 . . . . 0.0 109.331 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.466 ' HD3' ' CB ' ' A' ' 5' ' ' LEU . 18.4 Cg_endo -74.96 53.69 3.4 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.479 1.779 . . . . 0.0 111.023 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.473 ' CG ' ' N ' ' A' ' 8' ' ' GLY . 0.0 OUTLIER -120.65 -66.13 1.08 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.446 1.091 . . . . 0.0 110.309 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.488 ' C ' ' CE3' ' A' ' 9' ' ' TRP . . . -167.49 -41.6 0.02 OUTLIER Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.477 1.111 . . . . 0.0 110.962 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . 0.55 ' CE3' ' OD2' ' A' ' 23' ' ' ASP . 0.0 OUTLIER -111.03 159.42 17.79 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 107.958 -1.127 . . . . 0.0 107.958 -179.945 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.454 ' CG ' ' CD1' ' A' ' 5' ' ' LEU . 0.4 OUTLIER -107.02 122.02 45.63 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.541 1.151 . . . . 0.0 110.336 179.929 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.564 HG22 ' CD1' ' A' ' 21' ' ' PHE . 19.6 mt -119.9 135.12 61.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.402 1.063 . . . . 0.0 109.326 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.584 ' HB3' ' CE2' ' A' ' 20' ' ' TYR . 5.2 tpt180 -138.1 123.01 18.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 110.294 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.611 ' CZ ' ' N ' ' A' ' 1' ' ' ASN . 3.2 m-85 -97.98 150.77 21.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.452 1.095 . . . . 0.0 110.978 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.498 ' OG1' ' N ' ' A' ' 15' ' ' ARG . 51.3 p -139.23 -103.71 0.17 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.107 . . . . 0.0 110.41 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.498 ' N ' ' OG1' ' A' ' 14' ' ' THR . 0.0 OUTLIER -61.85 -179.45 0.2 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 110.345 179.921 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.492 ' C ' ' O ' ' A' ' 15' ' ' ARG . 4.6 pt-20 -30.97 -59.98 0.21 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.551 1.157 . . . . 0.0 110.263 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -144.25 40.17 1.19 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.458 1.099 . . . . 0.0 110.995 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.472 ' O ' ' O ' ' A' ' 19' ' ' ARG . 2.8 t -89.42 -4.26 10.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.556 0.798 . . . . 0.0 109.34 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.577 ' HD3' ' CE1' ' A' ' 21' ' ' PHE . 4.0 ppt_? -36.91 159.48 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.607 1.192 . . . . 0.0 110.253 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.6 ' CD1' ' C ' ' A' ' 20' ' ' TYR . 0.4 OUTLIER -149.36 155.91 41.23 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.524 1.14 . . . . 0.0 110.988 -179.973 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.641 ' O ' ' N ' ' A' ' 30' ' ' THR . 0.8 OUTLIER -128.95 148.19 50.91 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.502 1.126 . . . . 0.0 110.971 -179.937 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.418 HG23 ' CD1' ' A' ' 20' ' ' TYR . 94.8 t -146.84 105.55 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.587 1.18 . . . . 0.0 109.307 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.55 ' OD2' ' CE3' ' A' ' 9' ' ' TRP . 6.5 t0 -75.28 154.6 37.33 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.606 1.192 . . . . 0.0 109.313 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 5.3 t-80 -40.19 -28.05 0.05 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 109.602 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.65 ' C ' ' H ' ' A' ' 27' ' ' ARG . 45.6 m-20 -129.02 157.94 40.29 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 0.0 109.281 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 8.9 t -55.35 1.6 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 110.393 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.65 ' H ' ' C ' ' A' ' 25' ' ' ASN . 2.7 ptm85 -54.99 -42.46 72.49 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.454 1.096 . . . . 0.0 110.28 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.47 ' O ' ' N ' ' A' ' 23' ' ' ASP . 0.8 OUTLIER -139.19 100.02 3.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 110.39 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.414 ' HA ' ' O ' ' A' ' 21' ' ' PHE . 0.0 OUTLIER -135.59 104.52 5.83 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 0.0 110.409 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.641 ' N ' ' O ' ' A' ' 21' ' ' PHE . 1.0 OUTLIER -94.15 123.37 37.49 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.117 . . . . 0.0 110.428 180.0 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.418 ' O ' ' CG ' ' A' ' 31' ' ' PHE . 34.5 p90 -118.93 119.72 35.15 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.552 1.158 . . . . 0.0 110.982 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.459 ' CB ' ' O ' ' A' ' 18' ' ' VAL . 0.0 OUTLIER -107.8 164.27 12.4 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.581 1.175 . . . . 0.0 109.299 179.975 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . 0.412 ' O ' HG11 ' A' ' 18' ' ' VAL . 7.5 m-20 -47.0 146.26 2.86 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.555 1.159 . . . . 0.0 109.314 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 47.32 1.71 Allowed 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.473 1.775 . . . . 0.0 110.983 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.471 ' CB ' HG22 ' A' ' 18' ' ' VAL . 0.3 OUTLIER -70.99 -31.93 68.6 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.468 1.105 . . . . 0.0 110.308 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . 0.409 ' HB3' ' CB ' ' A' ' 14' ' ' THR . 8.3 p-10 -60.03 -14.37 16.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 109.333 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.485 ' O ' ' C ' ' A' ' 38' ' ' LYS . . . -81.92 38.89 2.54 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.416 1.073 . . . . 0.0 111.025 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.485 ' C ' ' O ' ' A' ' 37' ' ' GLY . 0.7 OUTLIER -33.95 136.79 0.11 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.527 0.781 . . . . 0.0 109.291 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 38.3 t . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.586 1.179 . . . . 0.0 110.014 179.954 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . 0.472 ' CB ' HG21 ' A' ' 11' ' ' ILE . 10.5 p30 . . . . . 0 N--CA 1.454 -0.248 0 N-CA-C 109.281 -0.636 . . . . 0.0 109.281 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.441 ' CG ' ' N ' ' A' ' 3' ' ' GLU . 11.3 pt-20 -80.73 -51.59 8.49 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.523 1.14 . . . . 0.0 110.335 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.538 ' HB3' ' CD ' ' A' ' 6' ' ' PRO . 0.0 OUTLIER -93.6 142.67 25.45 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.456 1.097 . . . . 0.0 110.403 179.947 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.489 ' C ' ' CD2' ' A' ' 5' ' ' LEU . 18.2 Cg_endo -74.95 54.98 3.78 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.462 1.77 . . . . 0.0 111.003 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.611 ' N ' ' HD3' ' A' ' 6' ' ' PRO . 0.0 OUTLIER 37.75 54.21 3.62 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.358 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.611 ' HD3' ' N ' ' A' ' 5' ' ' LEU . 18.2 Cg_endo -75.04 -160.99 0.11 Allowed 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.475 1.776 . . . . 0.0 111.015 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.482 ' CG ' ' N ' ' A' ' 8' ' ' GLY . 9.3 pt-20 -81.37 -47.1 13.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 0.0 110.333 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.482 ' N ' ' CG ' ' A' ' 7' ' ' GLU . . . -45.0 -64.26 2.26 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.491 1.119 . . . . 0.0 110.946 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . 0.441 ' CD1' ' N ' ' A' ' 9' ' ' TRP . 0.0 OUTLIER -131.97 159.55 38.4 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.01 -1.107 . . . . 0.0 108.01 -179.986 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -124.42 125.53 44.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 110.27 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.488 ' O ' ' CD1' ' A' ' 5' ' ' LEU . 3.1 mt -121.44 123.99 70.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.444 1.09 . . . . 0.0 109.353 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.435 ' O ' ' N ' ' A' ' 20' ' ' TYR . 0.3 OUTLIER -117.6 139.18 51.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.451 1.095 . . . . 0.0 110.31 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.542 ' HA ' ' CB ' ' A' ' 19' ' ' ARG . 3.6 p90 -113.99 151.26 32.65 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.482 1.114 . . . . 0.0 110.997 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.575 HG23 ' CE2' ' A' ' 20' ' ' TYR . 11.2 p -139.86 -62.95 0.51 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 110.431 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.502 ' N ' ' OG1' ' A' ' 14' ' ' THR . 0.0 OUTLIER -98.2 179.49 4.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.146 . . . . 0.0 110.351 179.968 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.445 ' C ' ' O ' ' A' ' 15' ' ' ARG . 0.0 OUTLIER -34.98 -52.39 0.55 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 110.313 179.968 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -149.72 36.32 0.99 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.526 1.141 . . . . 0.0 110.966 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.536 ' O ' ' CE1' ' A' ' 20' ' ' TYR . 4.7 t -89.51 -7.4 10.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.539 0.787 . . . . 0.0 109.292 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.542 ' CB ' ' HA ' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -39.31 154.76 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.515 1.134 . . . . 0.0 110.201 -179.949 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.575 ' CE2' HG23 ' A' ' 14' ' ' THR . 0.1 OUTLIER -130.18 167.41 18.44 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.545 1.153 . . . . 0.0 110.955 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.642 ' O ' ' N ' ' A' ' 30' ' ' THR . 1.3 m-85 -130.87 144.76 51.7 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.495 1.122 . . . . 0.0 111.002 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 91.9 t -146.51 108.58 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.458 1.099 . . . . 0.0 109.331 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.495 ' N ' ' O ' ' A' ' 28' ' ' THR . 3.8 t0 -74.77 159.05 32.48 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.568 1.168 . . . . 0.0 109.29 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . 0.403 ' C ' ' O ' ' A' ' 23' ' ' ASP . 57.3 t60 -39.8 -29.48 0.06 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.476 1.11 . . . . 0.0 109.631 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.664 ' C ' ' H ' ' A' ' 27' ' ' ARG . 3.2 m120 -130.35 157.57 42.21 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.472 1.107 . . . . 0.0 109.247 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 8.8 t -54.91 1.12 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.56 1.162 . . . . 0.0 110.418 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.664 ' H ' ' C ' ' A' ' 25' ' ' ASN . 0.0 OUTLIER -55.51 -40.82 72.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 110.294 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.495 ' O ' ' N ' ' A' ' 23' ' ' ASP . 0.8 OUTLIER -137.57 100.75 4.3 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.503 1.127 . . . . 0.0 110.416 -179.967 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.477 ' HA ' ' O ' ' A' ' 21' ' ' PHE . 1.5 t -137.3 116.27 12.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 110.463 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.642 ' N ' ' O ' ' A' ' 21' ' ' PHE . 0.9 OUTLIER -95.68 125.41 40.24 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.456 1.098 . . . . 0.0 110.44 -179.929 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.475 ' O ' ' CD2' ' A' ' 31' ' ' PHE . 49.0 p90 -119.44 118.23 30.56 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.561 1.163 . . . . 0.0 111.064 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -108.22 162.48 14.04 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.436 1.085 . . . . 0.0 109.291 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -49.37 153.9 1.68 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 109.234 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.13 53.84 3.52 Favored 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.549 1.815 . . . . 0.0 111.005 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 8.9 mmt180 -70.05 -28.42 65.44 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.12 . . . . 0.0 110.334 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 23.3 p-10 -61.3 -14.93 30.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 109.313 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.481 ' O ' ' C ' ' A' ' 38' ' ' LYS . . . -81.84 39.88 2.6 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.394 1.059 . . . . 0.0 111.062 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.481 ' C ' ' O ' ' A' ' 37' ' ' GLY . 2.9 ptpt -34.1 123.96 0.48 Allowed 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.438 0.729 . . . . 0.0 109.275 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 8.1 t . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 0.0 109.994 179.958 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . 0.594 ' OD1' ' CD1' ' A' ' 13' ' ' TYR . 63.0 m-80 . . . . . 0 N--CA 1.452 -0.35 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -42.85 -77.96 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.545 1.153 . . . . 0.0 110.323 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.541 ' HB3' ' CD ' ' A' ' 6' ' ' PRO . 0.0 OUTLIER -85.25 141.38 37.11 Favored Pre-proline 0 C--N 1.326 -0.433 0 O-C-N 124.471 1.107 . . . . 0.0 110.3 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.418 ' O ' ' C ' ' A' ' 5' ' ' LEU . 18.2 Cg_endo -75.01 54.83 3.77 Favored 'Trans proline' 0 C--N 1.359 1.099 0 O-C-N 124.465 1.771 . . . . 0.0 110.983 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.615 ' N ' ' HD3' ' A' ' 6' ' ' PRO . 0.1 OUTLIER 38.68 53.98 4.35 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.403 1.064 . . . . 0.0 109.263 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.615 ' HD3' ' N ' ' A' ' 5' ' ' LEU . 18.4 Cg_endo -74.98 -161.11 0.11 Allowed 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.43 1.752 . . . . 0.0 110.967 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.504 ' CG ' ' N ' ' A' ' 8' ' ' GLY . 7.2 pt-20 -78.74 -47.5 16.71 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.52 1.137 . . . . 0.0 110.294 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.504 ' N ' ' CG ' ' A' ' 7' ' ' GLU . . . -43.72 -64.33 1.91 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.576 1.173 . . . . 0.0 110.992 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . 0.466 ' CD1' ' N ' ' A' ' 9' ' ' TRP . 0.0 OUTLIER -136.03 159.74 40.78 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.007 -1.108 . . . . 0.0 108.007 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.483 ' HB3' ' CG1' ' A' ' 22' ' ' VAL . 1.1 tt0 -119.55 120.51 36.96 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.507 1.13 . . . . 0.0 110.253 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 3.1 mt -120.67 131.04 73.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.512 1.133 . . . . 0.0 109.312 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.594 ' HB3' ' CE2' ' A' ' 20' ' ' TYR . 0.0 OUTLIER -137.14 121.89 18.66 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.502 1.126 . . . . 0.0 110.227 -179.95 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.594 ' CD1' ' OD1' ' A' ' 1' ' ' ASN . 3.5 m-30 -92.78 151.1 20.21 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.521 1.138 . . . . 0.0 110.98 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.467 ' CG2' ' HA ' ' A' ' 36' ' ' ASN . 94.9 m -137.83 -109.23 0.18 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 110.373 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.47 ' CB ' ' HB ' ' A' ' 18' ' ' VAL . 0.2 OUTLIER -57.01 179.71 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.527 1.142 . . . . 0.0 110.296 180.0 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.463 ' C ' ' O ' ' A' ' 15' ' ' ARG . 4.3 pt-20 -33.73 -57.05 0.45 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 110.254 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -142.16 39.05 1.41 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.491 1.12 . . . . 0.0 111.019 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.505 ' O ' ' CB ' ' A' ' 32' ' ' LYS . 2.1 t -89.88 -4.9 10.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.466 0.745 . . . . 0.0 109.26 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.526 ' HB3' ' CG ' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -37.65 161.22 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 110.323 179.962 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.594 ' CE2' ' HB3' ' A' ' 12' ' ' ARG . 2.1 p90 -152.62 164.62 37.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 110.981 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.626 ' O ' ' N ' ' A' ' 30' ' ' THR . 1.0 OUTLIER -139.48 148.32 42.54 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.561 1.163 . . . . 0.0 111.047 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.483 ' CG1' ' HB3' ' A' ' 10' ' ' GLU . 7.5 p -145.41 112.42 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.243 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.522 ' N ' ' O ' ' A' ' 28' ' ' THR . 7.4 t0 -79.95 156.15 27.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.12 . . . . 0.0 109.301 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 13.3 t-160 -40.57 -28.4 0.07 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 109.601 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.658 ' C ' ' H ' ' A' ' 27' ' ' ARG . 12.0 m120 -129.61 157.93 40.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.135 . . . . 0.0 109.267 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 10.0 t -55.14 1.32 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.491 1.119 . . . . 0.0 110.454 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.658 ' H ' ' C ' ' A' ' 25' ' ' ASN . 9.5 ptm180 -55.33 -42.63 74.05 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.431 1.082 . . . . 0.0 110.344 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.522 ' O ' ' N ' ' A' ' 23' ' ' ASP . 0.8 OUTLIER -137.87 99.83 4.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.12 . . . . 0.0 110.381 179.964 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 12.7 t -137.27 111.15 8.22 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.546 1.154 . . . . 0.0 110.391 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.626 ' N ' ' O ' ' A' ' 21' ' ' PHE . 0.9 OUTLIER -93.81 125.86 38.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 110.412 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -115.24 122.99 47.69 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.432 1.082 . . . . 0.0 111.025 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.505 ' CB ' ' O ' ' A' ' 18' ' ' VAL . 0.0 OUTLIER -106.7 164.53 12.01 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.474 1.109 . . . . 0.0 109.254 -179.971 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -46.76 168.67 0.12 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 109.294 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.06 3.68 5.43 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.477 1.777 . . . . 0.0 110.972 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.45 -32.65 40.53 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.51 1.131 . . . . 0.0 110.266 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . 0.467 ' HA ' ' CG2' ' A' ' 14' ' ' THR . 4.2 p-10 -60.71 -25.06 66.14 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.572 1.17 . . . . 0.0 109.341 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.477 ' O ' ' C ' ' A' ' 38' ' ' LYS . . . -79.29 45.86 2.9 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.47 1.106 . . . . 0.0 111.039 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.477 ' C ' ' O ' ' A' ' 37' ' ' GLY . 0.3 OUTLIER -33.48 121.48 0.41 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.592 0.819 . . . . 0.0 109.313 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 47.0 t . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.462 1.101 . . . . 0.0 109.991 179.972 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . 0.4 ' OD1' ' C ' ' A' ' 1' ' ' ASN . 3.5 t-20 . . . . . 0 N--CA 1.453 -0.325 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.452 ' CG ' ' N ' ' A' ' 3' ' ' GLU . 11.6 pt-20 -107.65 -52.11 2.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 110.274 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.452 ' N ' ' CG ' ' A' ' 2' ' ' GLU . 0.0 OUTLIER -88.96 171.73 8.61 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.539 1.149 . . . . 0.0 110.273 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.52 ' O ' ' CD1' ' A' ' 5' ' ' LEU . 18.4 Cg_endo -74.9 -74.31 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.485 1.781 . . . . 0.0 111.049 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.52 ' CD1' ' O ' ' A' ' 4' ' ' PRO . 1.2 tp 173.91 -57.8 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 109.284 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.461 ' HD3' ' CB ' ' A' ' 5' ' ' LEU . 18.1 Cg_endo -74.98 -9.47 20.82 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.529 1.804 . . . . 0.0 111.03 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -47.74 -66.07 0.46 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 110.372 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -164.93 -40.93 0.02 OUTLIER Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.518 1.136 . . . . 0.0 110.985 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . 0.403 ' N ' ' CE3' ' A' ' 9' ' ' TRP . 0.0 OUTLIER -115.63 161.67 18.33 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 -179.961 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -105.35 126.63 52.32 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.555 1.159 . . . . 0.0 110.306 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 6.9 mt -120.33 122.06 67.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 0.0 109.264 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.411 ' O ' ' N ' ' A' ' 20' ' ' TYR . 7.0 mmm180 -120.2 140.12 51.62 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.452 1.095 . . . . 0.0 110.233 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.524 ' HA ' ' HA ' ' A' ' 19' ' ' ARG . 2.5 p90 -114.51 151.7 32.9 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.456 1.098 . . . . 0.0 111.032 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.483 ' CG2' ' HB3' ' A' ' 36' ' ' ASN . 2.2 m -138.5 -79.13 0.35 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 110.377 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.49 ' O ' ' C ' ' A' ' 16' ' ' GLU . 0.0 OUTLIER -83.89 -179.16 7.2 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.48 1.113 . . . . 0.0 110.347 179.966 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.49 ' C ' ' O ' ' A' ' 15' ' ' ARG . 11.5 tp10 -30.69 -59.48 0.2 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.409 1.068 . . . . 0.0 110.292 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -147.1 39.48 1.06 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.456 1.097 . . . . 0.0 111.023 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.528 ' O ' ' CB ' ' A' ' 32' ' ' LYS . 0.5 OUTLIER -89.63 -4.73 10.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.506 0.768 . . . . 0.0 109.239 -179.953 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.524 ' HA ' ' HA ' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -38.07 157.86 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.456 1.098 . . . . 0.0 110.31 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.589 ' CD1' ' C ' ' A' ' 20' ' ' TYR . 1.3 p90 -139.26 161.57 37.1 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.539 1.149 . . . . 0.0 111.086 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.659 ' O ' ' N ' ' A' ' 30' ' ' THR . 1.1 m-85 -127.64 143.81 51.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.411 1.07 . . . . 0.0 111.012 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.509 HG23 ' CE1' ' A' ' 20' ' ' TYR . 94.2 t -145.48 107.03 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.533 1.146 . . . . 0.0 109.259 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.572 ' N ' ' O ' ' A' ' 28' ' ' THR . 10.1 t0 -78.45 153.45 31.45 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 0.0 109.367 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 15.4 t-160 -40.24 -28.2 0.06 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.611 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.646 ' C ' ' H ' ' A' ' 27' ' ' ARG . 24.7 m-80 -128.95 159.31 36.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.455 1.097 . . . . 0.0 109.279 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 13.6 t -54.78 1.52 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.47 1.106 . . . . 0.0 110.437 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.646 ' H ' ' C ' ' A' ' 25' ' ' ASN . 1.4 mtt180 -54.2 -43.64 70.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 110.273 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.572 ' O ' ' N ' ' A' ' 23' ' ' ASP . 0.7 OUTLIER -138.93 100.0 3.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.578 1.174 . . . . 0.0 110.396 179.928 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 6.2 p -134.28 104.43 6.16 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.467 1.104 . . . . 0.0 110.445 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.659 ' N ' ' O ' ' A' ' 21' ' ' PHE . 0.9 OUTLIER -93.42 126.55 38.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 110.39 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 20.6 t80 -116.53 119.02 34.26 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.581 1.176 . . . . 0.0 111.058 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.528 ' CB ' ' O ' ' A' ' 18' ' ' VAL . 0.0 OUTLIER -107.41 164.13 12.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.328 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -47.56 157.24 0.58 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.152 . . . . 0.0 109.268 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 53.05 3.21 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.503 1.791 . . . . 0.0 110.996 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.421 ' CG ' HG23 ' A' ' 18' ' ' VAL . 0.0 OUTLIER -70.12 -41.29 74.15 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.533 1.146 . . . . 0.0 110.344 179.951 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . 0.483 ' HB3' ' CG2' ' A' ' 14' ' ' THR . 14.8 p-10 -67.29 -9.15 37.98 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.481 1.113 . . . . 0.0 109.298 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.481 ' O ' ' C ' ' A' ' 38' ' ' LYS . . . -83.31 34.71 2.84 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.471 1.107 . . . . 0.0 110.979 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.481 ' C ' ' O ' ' A' ' 37' ' ' GLY . 0.0 OUTLIER -33.96 141.59 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 0.74 . . . . 0.0 109.308 179.951 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 74.8 p . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.54 1.15 . . . . 0.0 110.026 179.995 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 110.27 -0.27 . . . . 0.0 110.27 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 3' ' ' GLU . . . . . 0.451 ' HG2' ' CD1' ' A' ' 9' ' ' TRP . 0.0 OUTLIER -73.0 143.35 83.91 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.544 1.153 . . . . 0.0 110.285 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.164 0 O-C-N 124.532 1.806 . . . . 0.0 111.001 179.972 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 9' ' ' TRP . . . . . 0.451 ' CD1' ' HG2' ' A' ' 3' ' ' GLU . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 108.039 -1.097 . . . . 0.0 108.039 . . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.427 ' O ' ' N ' ' A' ' 22' ' ' VAL . 0.6 OUTLIER -126.25 128.17 46.76 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.485 1.116 . . . . 0.0 110.353 179.966 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.665 HG23 ' HD1' ' A' ' 21' ' ' PHE . 4.4 mt -120.76 120.77 63.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.49 1.119 . . . . 0.0 109.335 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.439 ' HB2' ' CD1' ' A' ' 20' ' ' TYR . 18.9 mmm-85 -113.97 136.37 52.98 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.575 1.172 . . . . 0.0 110.304 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.569 ' HA ' ' CB ' ' A' ' 19' ' ' ARG . 3.9 p90 -114.97 152.14 32.9 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.568 1.167 . . . . 0.0 111.006 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.8 m -139.97 -75.61 0.34 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.569 1.168 . . . . 0.0 110.418 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.464 ' O ' ' C ' ' A' ' 16' ' ' GLU . 0.0 OUTLIER -86.67 -179.88 6.66 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.47 1.106 . . . . 0.0 110.285 -179.972 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.464 ' C ' ' O ' ' A' ' 15' ' ' ARG . 8.2 tp10 -32.61 -59.03 0.33 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 110.242 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -144.41 38.48 1.3 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.512 1.132 . . . . 0.0 111.052 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.56 HG21 ' HB2' ' A' ' 35' ' ' ARG . 24.8 t -89.75 -6.23 10.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.512 0.772 . . . . 0.0 109.349 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.569 ' CB ' ' HA ' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -43.4 164.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.521 1.138 . . . . 0.0 110.337 179.956 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.576 ' HA ' HG22 ' A' ' 30' ' ' THR . 0.1 OUTLIER -145.41 167.48 22.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 0.0 111.014 179.966 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.665 ' HD1' HG23 ' A' ' 11' ' ' ILE . 0.9 OUTLIER -126.58 148.73 49.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.554 1.159 . . . . 0.0 110.995 -180.0 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.427 ' N ' ' O ' ' A' ' 10' ' ' GLU . 3.2 p -146.93 109.99 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.405 179.893 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.56 ' N ' ' O ' ' A' ' 28' ' ' THR . 2.3 t70 -79.42 157.75 27.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 109.309 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 36.7 t60 -40.17 -29.2 0.07 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.121 . . . . 0.0 109.558 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.658 ' C ' ' H ' ' A' ' 27' ' ' ARG . 0.6 OUTLIER -130.01 157.75 41.48 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 0.0 109.274 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 47.7 m -54.95 0.85 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.551 1.157 . . . . 0.0 110.46 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.658 ' H ' ' C ' ' A' ' 25' ' ' ASN . 2.8 mtp180 -55.47 -40.23 71.39 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.499 1.124 . . . . 0.0 110.398 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.56 ' O ' ' N ' ' A' ' 23' ' ' ASP . 0.9 OUTLIER -139.08 99.71 3.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.568 1.167 . . . . 0.0 110.382 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.485 ' HA ' ' O ' ' A' ' 21' ' ' PHE . 42.1 p -137.53 108.43 6.7 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.131 . . . . 0.0 110.404 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.64 ' N ' ' O ' ' A' ' 21' ' ' PHE . 0.9 OUTLIER -94.22 122.68 37.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.102 . . . . 0.0 110.356 -179.948 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.451 ' CG ' ' O ' ' A' ' 31' ' ' PHE . 32.0 p90 -117.55 120.09 37.0 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.511 1.132 . . . . 0.0 111.067 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.468 ' CB ' ' O ' ' A' ' 18' ' ' VAL . 0.1 OUTLIER -106.16 164.77 11.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 109.295 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.422 ' O ' HG13 ' A' ' 18' ' ' VAL . 0.5 OUTLIER -45.71 142.91 3.34 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.123 . . . . 0.0 109.369 179.966 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.89 55.25 3.83 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.468 1.773 . . . . 0.0 111.027 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.56 ' HB2' HG21 ' A' ' 18' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.526 0 O-C-N 124.461 1.101 . . . . 0.0 110.292 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 2' ' ' GLU . . . . . 0.448 ' CG ' ' N ' ' A' ' 3' ' ' GLU . 14.2 pt-20 . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 110.321 -0.251 . . . . 0.0 110.321 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 3' ' ' GLU . . . . . 0.467 ' HB2' ' CD1' ' A' ' 11' ' ' ILE . 0.0 OUTLIER -91.7 142.1 26.36 Favored Pre-proline 0 C--N 1.323 -0.551 0 O-C-N 124.572 1.17 . . . . 0.0 110.32 179.937 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo . . . . . 0 C--N 1.36 1.169 0 O-C-N 124.461 1.769 . . . . 0.0 110.941 -179.992 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 107.937 -1.135 . . . . 0.0 107.937 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -121.17 126.24 49.19 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.534 1.146 . . . . 0.0 110.28 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.592 HG23 ' HD1' ' A' ' 21' ' ' PHE . 2.7 mp -121.16 128.07 75.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 109.276 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.581 ' HB2' ' CE2' ' A' ' 20' ' ' TYR . 0.0 OUTLIER -138.44 140.92 39.48 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.522 1.139 . . . . 0.0 110.299 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.502 ' HB3' ' CB ' ' A' ' 19' ' ' ARG . 17.9 p90 -128.96 161.59 29.56 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.542 1.151 . . . . 0.0 111.003 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -141.34 -43.49 0.37 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 110.463 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.459 ' CB ' ' HB ' ' A' ' 18' ' ' VAL . 0.0 OUTLIER -95.49 -179.59 4.81 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.449 1.093 . . . . 0.0 110.28 179.971 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -39.36 -62.19 0.7 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.569 1.168 . . . . 0.0 110.275 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' GLY . . . . . 0.425 ' HA3' ' NH2' ' A' ' 19' ' ' ARG . . . -136.06 43.47 1.24 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.526 1.141 . . . . 0.0 111.063 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.479 ' O ' ' CG1' ' A' ' 18' ' ' VAL . 0.9 OUTLIER -88.52 -2.56 9.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.569 0.805 . . . . 0.0 109.279 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.502 ' CB ' ' HB3' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -36.01 125.48 0.74 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 110.305 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.659 ' HA ' HG22 ' A' ' 30' ' ' THR . 0.8 OUTLIER -116.8 163.4 16.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 111.021 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.688 ' O ' ' N ' ' A' ' 30' ' ' THR . 1.2 m-85 -131.24 142.65 50.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 110.969 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.483 HG23 ' CD1' ' A' ' 20' ' ' TYR . 65.6 t -145.24 102.61 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 0.0 109.293 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.513 ' N ' ' O ' ' A' ' 28' ' ' THR . 0.5 OUTLIER -75.35 152.2 38.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.446 1.092 . . . . 0.0 109.296 179.949 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 11.9 t60 -40.81 -27.35 0.05 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.442 1.088 . . . . 0.0 109.541 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.659 ' C ' ' H ' ' A' ' 27' ' ' ARG . 0.7 OUTLIER -128.6 159.35 35.83 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 109.307 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.6 t -54.78 1.72 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 110.401 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.659 ' H ' ' C ' ' A' ' 25' ' ' ASN . 1.5 mtt180 -53.66 -43.69 69.03 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.493 1.121 . . . . 0.0 110.28 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.546 HG22 ' O ' ' A' ' 28' ' ' THR . 0.8 OUTLIER -141.07 99.95 3.71 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.456 1.098 . . . . 0.0 110.434 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.532 ' O ' HG23 ' A' ' 29' ' ' THR . 6.6 t -133.22 103.28 5.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 110.354 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.688 ' N ' ' O ' ' A' ' 21' ' ' PHE . 0.9 OUTLIER -94.53 125.83 39.43 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 110.408 179.952 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 36.2 p90 -114.72 120.22 39.34 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.494 1.121 . . . . 0.0 110.942 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.433 ' HB2' ' O ' ' A' ' 18' ' ' VAL . 7.5 mmtt -107.5 164.39 12.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.451 1.094 . . . . 0.0 109.324 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.421 ' CB ' ' HD2' ' A' ' 35' ' ' ARG . 18.7 m-20 -47.15 145.19 3.67 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 109.238 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 52.13 2.98 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.563 1.822 . . . . 0.0 110.994 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.43 ' HB2' HG21 ' A' ' 18' ' ' VAL . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.444 1.09 . . . . 0.0 110.31 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 110.297 -0.26 . . . . 0.0 110.297 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -72.88 144.96 86.07 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 0.0 110.282 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo . . . . . 0 C--N 1.36 1.149 0 O-C-N 124.58 1.831 . . . . 0.0 110.949 -179.975 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 9' ' ' TRP . . . . . 0.602 ' CD1' ' OD1' ' A' ' 23' ' ' ASP . 39.1 m0 . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -138.6 120.65 15.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 110.363 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.712 HG23 ' HD1' ' A' ' 21' ' ' PHE . 6.6 mt -120.37 121.66 66.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.473 1.108 . . . . 0.0 109.351 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.411 ' HB3' ' CE1' ' A' ' 20' ' ' TYR . 0.3 OUTLIER -118.47 140.0 50.55 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.504 1.128 . . . . 0.0 110.271 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.612 ' CD1' ' N ' ' A' ' 13' ' ' TYR . 0.3 OUTLIER -120.34 154.03 35.62 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.508 1.13 . . . . 0.0 111.027 179.954 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.671 HG23 ' H ' ' A' ' 15' ' ' ARG . 0.0 OUTLIER -141.08 -63.95 0.46 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.473 1.108 . . . . 0.0 110.406 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.671 ' H ' HG23 ' A' ' 14' ' ' THR . 0.4 OUTLIER -95.53 -179.94 4.93 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.503 1.127 . . . . 0.0 110.302 -179.956 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.439 ' C ' ' O ' ' A' ' 15' ' ' ARG . 1.4 pp20? -35.76 -55.07 0.72 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.508 1.13 . . . . 0.0 110.33 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -146.12 36.43 1.3 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.49 1.118 . . . . 0.0 111.052 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.654 HG21 ' HB3' ' A' ' 35' ' ' ARG . 4.3 t -89.54 -5.83 10.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.521 0.777 . . . . 0.0 109.282 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.589 ' CB ' ' HA ' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -47.58 163.1 0.05 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.572 1.17 . . . . 0.0 110.323 -179.956 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.614 ' HA ' HG22 ' A' ' 30' ' ' THR . 0.1 OUTLIER -145.17 167.66 22.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.44 1.088 . . . . 0.0 111.053 -179.971 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.712 ' HD1' HG23 ' A' ' 11' ' ' ILE . 0.8 OUTLIER -126.26 147.7 49.64 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.396 1.06 . . . . 0.0 111.024 -179.954 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 92.0 t -145.98 107.51 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.448 1.092 . . . . 0.0 109.291 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.602 ' OD1' ' CD1' ' A' ' 9' ' ' TRP . 1.8 t70 -74.96 157.22 35.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.11 . . . . 0.0 109.323 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' HIS . . . . . 0.408 ' C ' ' O ' ' A' ' 23' ' ' ASP . 13.3 t-160 -39.27 -29.5 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.556 1.16 . . . . 0.0 109.555 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.669 ' C ' ' H ' ' A' ' 27' ' ' ARG . 1.0 OUTLIER -129.91 157.7 41.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 0.0 109.313 -179.92 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.44 ' HA ' ' CG2' ' A' ' 29' ' ' THR . 15.0 t -54.7 0.92 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.494 1.121 . . . . 0.0 110.443 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.669 ' H ' ' C ' ' A' ' 25' ' ' ASN . 0.7 OUTLIER -55.4 -39.92 70.77 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.553 1.158 . . . . 0.0 110.319 179.966 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.528 ' O ' ' N ' ' A' ' 23' ' ' ASP . 1.1 m -139.01 100.79 4.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 110.394 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.495 ' HA ' ' O ' ' A' ' 21' ' ' PHE . 66.2 p -136.38 109.8 7.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 0.0 110.434 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.625 ' N ' ' O ' ' A' ' 21' ' ' PHE . 0.9 OUTLIER -94.51 124.44 38.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 110.384 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -116.99 128.02 54.77 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.558 1.161 . . . . 0.0 110.992 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.511 ' CB ' ' O ' ' A' ' 18' ' ' VAL . 0.1 OUTLIER -106.16 165.16 11.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 109.255 -179.94 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -46.0 165.66 0.18 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.285 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -74.87 5.37 3.96 Favored 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.451 1.764 . . . . 0.0 111.055 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.654 ' HB3' HG21 ' A' ' 18' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.544 1.152 . . . . 0.0 110.323 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 2' ' ' GLU . . . . . 0.457 ' CG ' ' N ' ' A' ' 3' ' ' GLU . 15.9 pt-20 . . . . . 0 N--CA 1.454 -0.275 0 N-CA-C 110.316 -0.253 . . . . 0.0 110.316 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 3' ' ' GLU . . . . . 0.457 ' N ' ' CG ' ' A' ' 2' ' ' GLU . 0.1 OUTLIER -90.19 146.86 35.68 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 110.298 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.166 0 O-C-N 124.51 1.795 . . . . 0.0 110.998 -179.977 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 9' ' ' TRP . . . . . 0.448 ' NE1' ' OD2' ' A' ' 23' ' ' ASP . 8.7 m-90 . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 108.019 -1.104 . . . . 0.0 108.019 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.413 ' O ' ' N ' ' A' ' 22' ' ' VAL . 0.9 OUTLIER -139.62 120.99 14.98 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 110.327 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.708 HG23 ' HD1' ' A' ' 21' ' ' PHE . 5.6 mt -120.1 121.63 66.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.104 . . . . 0.0 109.28 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.433 ' HB2' ' CE1' ' A' ' 20' ' ' TYR . 15.6 mmm180 -115.54 134.33 55.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.527 1.142 . . . . 0.0 110.327 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.532 ' HA ' ' HA ' ' A' ' 19' ' ' ARG . 6.7 p90 -114.5 150.47 34.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.422 1.076 . . . . 0.0 111.038 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.528 ' HB ' HG12 ' A' ' 18' ' ' VAL . 7.5 m -140.04 -89.49 0.18 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 110.417 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.479 ' CD ' ' O ' ' A' ' 35' ' ' ARG . 0.0 OUTLIER -69.55 -178.79 1.52 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.503 1.127 . . . . 0.0 110.297 179.942 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.474 ' C ' ' O ' ' A' ' 15' ' ' ARG . 3.0 pt-20 -32.74 -61.14 0.29 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.575 1.172 . . . . 0.0 110.299 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -144.36 41.41 1.1 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.453 1.096 . . . . 0.0 111.05 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.813 HG21 ' CB ' ' A' ' 35' ' ' ARG . 0.5 OUTLIER -89.25 -6.15 10.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.553 0.796 . . . . 0.0 109.323 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.532 ' HA ' ' HA ' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -41.7 162.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 110.277 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.543 ' HA ' HG22 ' A' ' 30' ' ' THR . 0.1 OUTLIER -148.4 166.7 27.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.437 1.086 . . . . 0.0 111.027 179.958 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.708 ' HD1' HG23 ' A' ' 11' ' ' ILE . 0.8 OUTLIER -124.5 147.88 48.08 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.111 . . . . 0.0 111.022 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.413 ' N ' ' O ' ' A' ' 10' ' ' GLU . 71.6 t -146.69 106.81 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.13 . . . . 0.0 109.311 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.558 ' N ' ' O ' ' A' ' 28' ' ' THR . 3.5 t70 -74.83 156.86 36.02 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 0.0 109.301 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' HIS . . . . . 0.402 ' C ' ' O ' ' A' ' 23' ' ' ASP . 51.8 t60 -39.61 -28.75 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.54 1.15 . . . . 0.0 109.583 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.665 ' C ' ' H ' ' A' ' 27' ' ' ARG . 0.4 OUTLIER -129.44 156.91 43.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.284 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 2.6 t -55.31 1.0 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 110.34 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.665 ' H ' ' C ' ' A' ' 25' ' ' ASN . 16.0 ptp180 -56.51 -39.36 73.18 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 110.358 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.558 ' O ' ' N ' ' A' ' 23' ' ' ASP . 0.9 OUTLIER -138.08 100.32 4.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.585 1.178 . . . . 0.0 110.393 179.958 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.496 ' HA ' ' O ' ' A' ' 21' ' ' PHE . 1.0 OUTLIER -137.12 108.98 7.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.569 1.168 . . . . 0.0 110.405 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.624 ' N ' ' O ' ' A' ' 21' ' ' PHE . 0.9 OUTLIER -94.52 123.38 37.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.439 1.087 . . . . 0.0 110.383 -179.953 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 34.8 p90 -118.05 129.95 55.87 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.122 . . . . 0.0 111.07 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.424 ' CB ' ' O ' ' A' ' 18' ' ' VAL . 0.0 OUTLIER -106.18 164.51 11.94 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.502 1.126 . . . . 0.0 109.315 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.516 ' C ' ' H ' ' A' ' 35' ' ' ARG . 4.7 m-20 -46.03 164.12 0.21 Allowed Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 109.299 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 30.07 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.484 1.781 . . . . 0.0 111.03 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.813 ' CB ' HG21 ' A' ' 18' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 110.268 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 2' ' ' GLU . . . . . 0.443 ' CG ' ' N ' ' A' ' 3' ' ' GLU . 15.6 pt-20 . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 110.338 -0.245 . . . . 0.0 110.338 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 3' ' ' GLU . . . . . 0.443 ' N ' ' CG ' ' A' ' 2' ' ' GLU . 0.5 OUTLIER -94.87 139.33 22.12 Favored Pre-proline 0 C--N 1.326 -0.424 0 O-C-N 124.551 1.157 . . . . 0.0 110.262 -179.952 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 4' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 3' ' ' GLU . 18.2 Cg_endo . . . . . 0 C--N 1.359 1.131 0 O-C-N 124.56 1.821 . . . . 0.0 111.009 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' TRP . . . . . 0.596 ' CD1' ' CG ' ' A' ' 23' ' ' ASP . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 107.965 -1.124 . . . . 0.0 107.965 . . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -117.22 125.12 50.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.45 1.094 . . . . 0.0 110.305 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.678 HG23 ' HD1' ' A' ' 21' ' ' PHE . 3.7 mt -120.43 121.45 65.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.543 1.152 . . . . 0.0 109.28 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.442 ' HB3' ' CE1' ' A' ' 20' ' ' TYR . 13.3 tpp180 -115.94 139.03 50.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.442 1.089 . . . . 0.0 110.355 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.659 ' CD1' ' N ' ' A' ' 13' ' ' TYR . 0.1 OUTLIER -121.13 152.91 38.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.409 1.068 . . . . 0.0 110.986 -179.944 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.711 HG23 ' H ' ' A' ' 15' ' ' ARG . 0.0 OUTLIER -140.58 -66.53 0.43 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.138 . . . . 0.0 110.389 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.711 ' H ' HG23 ' A' ' 14' ' ' THR . 0.8 OUTLIER -92.77 179.3 5.52 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.429 1.08 . . . . 0.0 110.353 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.459 ' C ' ' O ' ' A' ' 15' ' ' ARG . 33.4 tp10 -34.18 -57.59 0.48 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.468 1.105 . . . . 0.0 110.245 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -144.29 36.45 1.47 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.519 1.137 . . . . 0.0 110.999 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.795 HG21 ' CB ' ' A' ' 35' ' ' ARG . 14.3 t -89.34 -4.43 10.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.437 0.728 . . . . 0.0 109.336 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.57 ' CB ' ' HA ' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -48.58 166.66 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 110.319 179.957 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.565 ' HA ' HG22 ' A' ' 30' ' ' THR . 0.1 OUTLIER -147.2 167.21 24.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.425 1.078 . . . . 0.0 111.051 179.973 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.678 ' HD1' HG23 ' A' ' 11' ' ' ILE . 0.6 OUTLIER -127.5 146.94 50.33 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.575 1.172 . . . . 0.0 110.998 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.414 ' O ' HG13 ' A' ' 22' ' ' VAL . 7.6 p -145.68 109.75 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 109.362 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.596 ' CG ' ' CD1' ' A' ' 9' ' ' TRP . 0.1 OUTLIER -79.4 155.18 28.49 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.485 1.116 . . . . 0.0 109.276 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 24' ' ' HIS . . . . . 0.401 ' C ' ' O ' ' A' ' 23' ' ' ASP . 7.9 t-160 -39.81 -28.7 0.05 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.441 1.088 . . . . 0.0 109.549 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.673 ' C ' ' H ' ' A' ' 27' ' ' ARG . 2.5 m-20 -129.28 158.17 39.82 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.523 1.14 . . . . 0.0 109.259 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 8.2 t -54.59 1.32 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.451 1.094 . . . . 0.0 110.437 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.673 ' H ' ' C ' ' A' ' 25' ' ' ASN . 3.0 mtp180 -54.95 -42.58 72.49 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.449 1.093 . . . . 0.0 110.295 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.567 ' O ' ' N ' ' A' ' 23' ' ' ASP . 0.8 OUTLIER -137.71 100.67 4.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 110.359 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.446 ' HA ' ' O ' ' A' ' 21' ' ' PHE . 8.9 m -135.18 104.41 5.89 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.475 1.11 . . . . 0.0 110.438 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.644 ' N ' ' O ' ' A' ' 21' ' ' PHE . 1.0 OUTLIER -94.12 122.99 37.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.141 . . . . 0.0 110.427 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -117.5 120.55 38.45 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.488 1.117 . . . . 0.0 110.982 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.454 ' HB2' ' O ' ' A' ' 18' ' ' VAL . 8.3 mmmt -105.78 163.78 12.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.312 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.519 ' O ' HG13 ' A' ' 18' ' ' VAL . 0.8 OUTLIER -46.94 147.2 2.37 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.604 1.19 . . . . 0.0 109.318 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 52.38 3.03 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.436 1.756 . . . . 0.0 110.983 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.795 ' CB ' HG21 ' A' ' 18' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 110.335 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 2' ' ' GLU . . . . . 0.491 ' HG2' HD13 ' A' ' 11' ' ' ILE . 12.6 pt-20 . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 110.324 -0.25 . . . . 0.0 110.324 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 3' ' ' GLU . . . . . 0.451 ' N ' ' CG ' ' A' ' 2' ' ' GLU . 0.1 OUTLIER -91.55 148.18 36.86 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 110.308 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.132 0 O-C-N 124.511 1.795 . . . . 0.0 110.976 179.97 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 9' ' ' TRP . . . . . 0.766 ' CZ3' HG21 ' A' ' 28' ' ' THR . 16.7 m0 . . . . . 0 N--CA 1.452 -0.336 0 N-CA-C 108.048 -1.093 . . . . 0.0 108.048 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -142.32 120.25 12.02 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.443 1.089 . . . . 0.0 110.315 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.748 HG23 ' HD1' ' A' ' 21' ' ' PHE . 5.3 mt -120.61 121.79 66.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 109.278 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.61 ' HB2' ' CE2' ' A' ' 20' ' ' TYR . 19.6 mmt180 -117.5 132.57 56.52 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 110.311 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.531 ' HA ' ' HA ' ' A' ' 19' ' ' ARG . 9.6 p90 -115.1 148.03 39.46 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 110.977 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.481 HG22 ' N ' ' A' ' 15' ' ' ARG . 5.6 m -139.69 -95.16 0.16 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.14 . . . . 0.0 110.356 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.487 ' O ' ' C ' ' A' ' 16' ' ' GLU . 0.0 OUTLIER -58.7 -179.5 0.06 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.482 1.114 . . . . 0.0 110.291 -179.953 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.487 ' C ' ' O ' ' A' ' 15' ' ' ARG . 34.7 tt0 -32.09 -61.01 0.26 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.13 . . . . 0.0 110.293 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -148.43 42.31 0.85 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.439 1.087 . . . . 0.0 111.019 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.524 ' O ' ' CB ' ' A' ' 32' ' ' LYS . 0.3 OUTLIER -88.98 -4.54 10.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 O-C-N 124.462 0.742 . . . . 0.0 109.32 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.531 ' HA ' ' HA ' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -38.5 158.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 110.27 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.61 ' CE2' ' HB2' ' A' ' 12' ' ' ARG . 1.5 p90 -142.99 162.05 36.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.113 . . . . 0.0 110.978 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.748 ' HD1' HG23 ' A' ' 11' ' ' ILE . 0.6 OUTLIER -127.39 143.65 51.18 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.508 1.13 . . . . 0.0 110.974 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.478 HG22 HG23 ' A' ' 29' ' ' THR . 63.9 t -145.44 107.0 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.533 1.145 . . . . 0.0 109.309 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.606 ' OD1' ' CD1' ' A' ' 9' ' ' TRP . 58.5 t0 -77.57 153.29 33.44 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.555 1.159 . . . . 0.0 109.297 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' HIS . . . . . 0.465 ' N ' ' OD1' ' A' ' 23' ' ' ASP . 72.8 t60 -39.79 -28.21 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.155 . . . . 0.0 109.649 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.662 ' C ' ' H ' ' A' ' 27' ' ' ARG . 4.0 m-20 -128.94 158.88 37.58 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.571 1.17 . . . . 0.0 109.241 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 5.2 t -55.0 1.65 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 110.347 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.662 ' H ' ' C ' ' A' ' 25' ' ' ASN . 0.0 OUTLIER -54.43 -42.97 71.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 110.309 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.766 HG21 ' CZ3' ' A' ' 9' ' ' TRP . 0.8 OUTLIER -139.23 100.51 4.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 0.0 110.384 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.478 HG23 HG22 ' A' ' 22' ' ' VAL . 16.9 m -134.53 105.4 6.51 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.464 1.103 . . . . 0.0 110.436 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.651 ' N ' ' O ' ' A' ' 21' ' ' PHE . 0.9 OUTLIER -93.0 127.02 38.37 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.507 1.129 . . . . 0.0 110.394 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -116.16 118.89 34.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.115 . . . . 0.0 110.968 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.524 ' CB ' ' O ' ' A' ' 18' ' ' VAL . 0.0 OUTLIER -107.31 164.71 11.95 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.484 1.115 . . . . 0.0 109.229 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -46.92 160.69 0.32 Allowed Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.549 1.156 . . . . 0.0 109.314 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 7.24 2.97 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.463 1.77 . . . . 0.0 110.97 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 110.276 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 14.7 pt-20 . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 110.259 -0.274 . . . . 0.0 110.259 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 3' ' ' GLU . . . . . 0.475 ' HB2' ' CD1' ' A' ' 11' ' ' ILE . 0.0 OUTLIER -103.67 156.2 35.89 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 110.311 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.359 1.13 0 O-C-N 124.498 1.788 . . . . 0.0 111.0 179.98 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 9' ' ' TRP . . . . . 0.55 ' CE3' ' OD2' ' A' ' 23' ' ' ASP . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 107.958 -1.127 . . . . 0.0 107.958 . . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.409 ' O ' ' HA ' ' A' ' 21' ' ' PHE . 0.4 OUTLIER -107.02 122.02 45.63 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.541 1.151 . . . . 0.0 110.336 179.929 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.947 HG23 ' CD1' ' A' ' 21' ' ' PHE . 19.6 mt -119.9 135.12 61.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.402 1.063 . . . . 0.0 109.326 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.583 ' HB3' ' CE2' ' A' ' 20' ' ' TYR . 5.2 tpt180 -138.1 123.01 18.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 110.294 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.563 ' CG ' ' HB3' ' A' ' 19' ' ' ARG . 3.2 m-85 -97.98 150.77 21.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.452 1.095 . . . . 0.0 110.978 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.498 ' OG1' ' N ' ' A' ' 15' ' ' ARG . 51.3 p -139.23 -103.71 0.17 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.107 . . . . 0.0 110.41 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.498 ' N ' ' OG1' ' A' ' 14' ' ' THR . 0.0 OUTLIER -61.85 -179.45 0.2 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 110.345 179.921 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.492 ' C ' ' O ' ' A' ' 15' ' ' ARG . 4.6 pt-20 -30.97 -59.98 0.21 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.551 1.157 . . . . 0.0 110.263 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -144.25 40.17 1.19 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.458 1.099 . . . . 0.0 110.995 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.833 HG21 ' HB2' ' A' ' 35' ' ' ARG . 2.8 t -89.42 -4.26 10.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.556 0.798 . . . . 0.0 109.34 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.576 ' HD3' ' CE1' ' A' ' 21' ' ' PHE . 4.0 ppt_? -36.91 159.48 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.607 1.192 . . . . 0.0 110.253 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.6 ' CD1' ' C ' ' A' ' 20' ' ' TYR . 0.4 OUTLIER -149.36 155.91 41.23 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.524 1.14 . . . . 0.0 110.988 -179.973 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.947 ' CD1' HG23 ' A' ' 11' ' ' ILE . 0.8 OUTLIER -128.95 148.19 50.91 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.502 1.126 . . . . 0.0 110.971 -179.937 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 94.8 t -146.84 105.55 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.587 1.18 . . . . 0.0 109.307 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.568 ' N ' ' O ' ' A' ' 28' ' ' THR . 6.5 t0 -75.28 154.6 37.33 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.606 1.192 . . . . 0.0 109.313 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 5.3 t-80 -40.19 -28.05 0.05 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 109.602 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.654 ' C ' ' H ' ' A' ' 27' ' ' ARG . 45.6 m-20 -129.02 157.94 40.29 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 0.0 109.281 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 8.9 t -55.35 1.6 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 110.393 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.654 ' H ' ' C ' ' A' ' 25' ' ' ASN . 2.7 ptm85 -54.99 -42.46 72.49 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.454 1.096 . . . . 0.0 110.28 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.568 ' O ' ' N ' ' A' ' 23' ' ' ASP . 0.8 OUTLIER -139.19 100.02 3.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 110.39 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.439 ' HA ' ' O ' ' A' ' 21' ' ' PHE . 0.0 OUTLIER -135.59 104.52 5.83 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 0.0 110.409 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.641 ' N ' ' O ' ' A' ' 21' ' ' PHE . 1.0 OUTLIER -94.15 123.37 37.49 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.117 . . . . 0.0 110.428 180.0 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.418 ' O ' ' CG ' ' A' ' 31' ' ' PHE . 34.5 p90 -118.93 119.72 35.15 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.552 1.158 . . . . 0.0 110.982 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.459 ' CB ' ' O ' ' A' ' 18' ' ' VAL . 0.0 OUTLIER -107.8 164.27 12.4 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.581 1.175 . . . . 0.0 109.299 179.975 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -47.0 146.26 2.86 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.555 1.159 . . . . 0.0 109.314 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 47.32 1.71 Allowed 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.473 1.775 . . . . 0.0 110.983 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.833 ' HB2' HG21 ' A' ' 18' ' ' VAL . 0.3 OUTLIER . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.468 1.105 . . . . 0.0 110.308 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 2' ' ' GLU . . . . . 0.441 ' CG ' ' N ' ' A' ' 3' ' ' GLU . 11.3 pt-20 . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 110.335 -0.246 . . . . 0.0 110.335 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 3' ' ' GLU . . . . . 0.441 ' N ' ' CG ' ' A' ' 2' ' ' GLU . 0.0 OUTLIER -93.6 142.67 25.45 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.456 1.097 . . . . 0.0 110.403 179.947 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.361 1.202 0 O-C-N 124.462 1.77 . . . . 0.0 111.003 -179.955 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 9' ' ' TRP . . . . . 0.441 ' CD1' ' N ' ' A' ' 9' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 108.01 -1.107 . . . . 0.0 108.01 . . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -124.42 125.53 44.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 110.27 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.623 HG23 ' HD1' ' A' ' 21' ' ' PHE . 3.1 mt -121.44 123.99 70.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.444 1.09 . . . . 0.0 109.353 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.435 ' O ' ' N ' ' A' ' 20' ' ' TYR . 0.3 OUTLIER -117.6 139.18 51.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.451 1.095 . . . . 0.0 110.31 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.546 ' HA ' ' HA ' ' A' ' 19' ' ' ARG . 3.6 p90 -113.99 151.26 32.65 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.482 1.114 . . . . 0.0 110.997 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.738 HG21 ' OH ' ' A' ' 20' ' ' TYR . 11.2 p -139.86 -62.95 0.51 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 110.431 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.502 ' N ' ' OG1' ' A' ' 14' ' ' THR . 0.0 OUTLIER -98.2 179.49 4.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.146 . . . . 0.0 110.351 179.968 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.445 ' C ' ' O ' ' A' ' 15' ' ' ARG . 0.0 OUTLIER -34.98 -52.39 0.55 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 110.313 179.968 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -149.72 36.32 0.99 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.526 1.141 . . . . 0.0 110.966 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.699 HG21 ' CB ' ' A' ' 35' ' ' ARG . 4.7 t -89.51 -7.4 10.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.539 0.787 . . . . 0.0 109.292 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.546 ' HA ' ' HA ' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -39.31 154.76 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.515 1.134 . . . . 0.0 110.201 -179.949 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.738 ' OH ' HG21 ' A' ' 14' ' ' THR . 0.1 OUTLIER -130.18 167.41 18.44 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.545 1.153 . . . . 0.0 110.955 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.642 ' O ' ' N ' ' A' ' 30' ' ' THR . 1.3 m-85 -130.87 144.76 51.7 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.495 1.122 . . . . 0.0 111.002 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 91.9 t -146.51 108.58 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.458 1.099 . . . . 0.0 109.331 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.495 ' N ' ' O ' ' A' ' 28' ' ' THR . 3.8 t0 -74.77 159.05 32.48 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.568 1.168 . . . . 0.0 109.29 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' HIS . . . . . 0.403 ' C ' ' O ' ' A' ' 23' ' ' ASP . 57.3 t60 -39.8 -29.48 0.06 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.476 1.11 . . . . 0.0 109.631 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.669 ' C ' ' H ' ' A' ' 27' ' ' ARG . 3.2 m120 -130.35 157.57 42.21 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.472 1.107 . . . . 0.0 109.247 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 8.8 t -54.91 1.12 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.56 1.162 . . . . 0.0 110.418 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.669 ' H ' ' C ' ' A' ' 25' ' ' ASN . 0.0 OUTLIER -55.51 -40.82 72.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 110.294 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.526 HG22 ' O ' ' A' ' 28' ' ' THR . 0.8 OUTLIER -137.57 100.75 4.3 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.503 1.127 . . . . 0.0 110.416 -179.967 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.506 ' HA ' ' O ' ' A' ' 21' ' ' PHE . 1.5 t -137.3 116.27 12.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 110.463 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.642 ' N ' ' O ' ' A' ' 21' ' ' PHE . 0.9 OUTLIER -95.68 125.41 40.24 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.456 1.098 . . . . 0.0 110.44 -179.929 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.475 ' O ' ' CD2' ' A' ' 31' ' ' PHE . 49.0 p90 -119.44 118.23 30.56 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.561 1.163 . . . . 0.0 111.064 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -108.22 162.48 14.04 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.436 1.085 . . . . 0.0 109.291 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -49.37 153.9 1.68 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 109.234 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.13 53.84 3.52 Favored 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.549 1.815 . . . . 0.0 111.005 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.699 ' CB ' HG21 ' A' ' 18' ' ' VAL . 8.9 mmt180 . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.12 . . . . 0.0 110.334 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.454 -0.245 0 N-CA-C 110.323 -0.251 . . . . 0.0 110.323 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 3' ' ' GLU . . . . . 0.416 ' HA ' ' HD3' ' A' ' 4' ' ' PRO . 0.0 OUTLIER -85.25 141.38 37.11 Favored Pre-proline 0 C--N 1.326 -0.433 0 O-C-N 124.471 1.107 . . . . 0.0 110.3 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 4' ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' A' ' 3' ' ' GLU . 18.2 Cg_endo . . . . . 0 C--N 1.359 1.099 0 O-C-N 124.465 1.771 . . . . 0.0 110.983 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' TRP . . . . . 0.466 ' CD1' ' N ' ' A' ' 9' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.271 0 N-CA-C 108.007 -1.108 . . . . 0.0 108.007 . . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.483 ' HB3' ' CG1' ' A' ' 22' ' ' VAL . 1.1 tt0 -119.55 120.51 36.96 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.507 1.13 . . . . 0.0 110.253 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.654 HG23 ' HD1' ' A' ' 21' ' ' PHE . 3.1 mt -120.67 131.04 73.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.512 1.133 . . . . 0.0 109.312 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.594 ' HB3' ' CE2' ' A' ' 20' ' ' TYR . 0.0 OUTLIER -137.14 121.89 18.66 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.502 1.126 . . . . 0.0 110.227 -179.95 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.554 ' HA ' ' HA ' ' A' ' 19' ' ' ARG . 3.5 m-30 -92.78 151.1 20.21 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.521 1.138 . . . . 0.0 110.98 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 94.9 m -137.83 -109.23 0.18 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 110.373 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.47 ' CB ' ' HB ' ' A' ' 18' ' ' VAL . 0.2 OUTLIER -57.01 179.71 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.527 1.142 . . . . 0.0 110.296 180.0 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.463 ' C ' ' O ' ' A' ' 15' ' ' ARG . 4.3 pt-20 -33.73 -57.05 0.45 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 110.254 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -142.16 39.05 1.41 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.491 1.12 . . . . 0.0 111.019 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.689 HG21 ' HB2' ' A' ' 35' ' ' ARG . 2.1 t -89.88 -4.9 10.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.466 0.745 . . . . 0.0 109.26 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.554 ' HA ' ' HA ' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -37.65 161.22 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 110.323 179.962 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.685 ' HA ' HG22 ' A' ' 30' ' ' THR . 2.1 p90 -152.62 164.62 37.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 110.981 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.654 ' HD1' HG23 ' A' ' 11' ' ' ILE . 1.0 OUTLIER -139.48 148.32 42.54 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.561 1.163 . . . . 0.0 111.047 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.483 ' CG1' ' HB3' ' A' ' 10' ' ' GLU . 7.5 p -145.41 112.42 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.243 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.522 ' N ' ' O ' ' A' ' 28' ' ' THR . 7.4 t0 -79.95 156.15 27.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.12 . . . . 0.0 109.301 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 3.1 t60 -40.57 -28.4 0.07 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 109.601 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.668 ' C ' ' H ' ' A' ' 27' ' ' ARG . 12.0 m120 -129.61 157.93 40.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.135 . . . . 0.0 109.267 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 10.0 t -55.14 1.32 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.491 1.119 . . . . 0.0 110.454 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.668 ' H ' ' C ' ' A' ' 25' ' ' ASN . 9.5 ptm180 -55.33 -42.63 74.05 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.431 1.082 . . . . 0.0 110.344 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.527 HG22 ' O ' ' A' ' 28' ' ' THR . 0.8 OUTLIER -137.87 99.83 4.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.12 . . . . 0.0 110.381 179.964 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.503 ' O ' HG23 ' A' ' 29' ' ' THR . 12.7 t -137.27 111.15 8.22 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.546 1.154 . . . . 0.0 110.391 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.685 HG22 ' HA ' ' A' ' 20' ' ' TYR . 0.9 OUTLIER -93.81 125.86 38.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 110.412 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -115.24 122.99 47.69 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.432 1.082 . . . . 0.0 111.025 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.505 ' CB ' ' O ' ' A' ' 18' ' ' VAL . 0.0 OUTLIER -106.7 164.53 12.01 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.474 1.109 . . . . 0.0 109.254 -179.971 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -46.76 168.67 0.12 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 109.294 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.06 3.68 5.43 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.477 1.777 . . . . 0.0 110.972 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.689 ' HB2' HG21 ' A' ' 18' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.51 1.131 . . . . 0.0 110.266 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 2' ' ' GLU . . . . . 0.452 ' CG ' ' N ' ' A' ' 3' ' ' GLU . 11.6 pt-20 . . . . . 0 N--CA 1.454 -0.27 0 N-CA-C 110.274 -0.269 . . . . 0.0 110.274 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 3' ' ' GLU . . . . . 0.543 ' H ' HD13 ' A' ' 11' ' ' ILE . 0.0 OUTLIER -88.96 171.73 8.61 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.539 1.149 . . . . 0.0 110.273 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.168 0 O-C-N 124.485 1.781 . . . . 0.0 111.049 179.936 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 9' ' ' TRP . . . . . 0.408 ' HA ' ' HA ' ' A' ' 23' ' ' ASP . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.254 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 . . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -105.35 126.63 52.32 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.555 1.159 . . . . 0.0 110.306 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.748 HG23 ' CD1' ' A' ' 21' ' ' PHE . 6.9 mt -120.33 122.06 67.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 0.0 109.264 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.599 ' HB2' ' CE2' ' A' ' 20' ' ' TYR . 7.0 mmm180 -120.2 140.12 51.62 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.452 1.095 . . . . 0.0 110.233 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.538 ' HA ' ' HA ' ' A' ' 19' ' ' ARG . 2.5 p90 -114.51 151.7 32.9 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.456 1.098 . . . . 0.0 111.032 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.474 ' HB ' HG12 ' A' ' 18' ' ' VAL . 2.2 m -138.5 -79.13 0.35 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 110.377 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.49 ' O ' ' C ' ' A' ' 16' ' ' GLU . 0.0 OUTLIER -83.89 -179.16 7.2 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.48 1.113 . . . . 0.0 110.347 179.966 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.49 ' C ' ' O ' ' A' ' 15' ' ' ARG . 11.5 tp10 -30.69 -59.48 0.2 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.409 1.068 . . . . 0.0 110.292 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -147.1 39.48 1.06 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.456 1.097 . . . . 0.0 111.023 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.864 HG21 ' HB2' ' A' ' 35' ' ' ARG . 0.5 OUTLIER -89.63 -4.73 10.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.506 0.768 . . . . 0.0 109.239 -179.953 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.538 ' HA ' ' HA ' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -38.07 157.86 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.456 1.098 . . . . 0.0 110.31 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.628 ' HA ' HG22 ' A' ' 30' ' ' THR . 1.3 p90 -139.26 161.57 37.1 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.539 1.149 . . . . 0.0 111.086 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.748 ' CD1' HG23 ' A' ' 11' ' ' ILE . 1.1 m-85 -127.64 143.81 51.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.411 1.07 . . . . 0.0 111.012 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.447 HG13 HG22 ' A' ' 29' ' ' THR . 94.2 t -145.48 107.03 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.533 1.146 . . . . 0.0 109.259 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.572 ' N ' ' O ' ' A' ' 28' ' ' THR . 10.1 t0 -78.45 153.45 31.45 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 0.0 109.367 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 15.4 t-160 -40.24 -28.2 0.06 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.611 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.657 ' C ' ' H ' ' A' ' 27' ' ' ARG . 7.6 m120 -128.95 159.31 36.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.455 1.097 . . . . 0.0 109.279 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 13.6 t -54.78 1.52 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.47 1.106 . . . . 0.0 110.437 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.657 ' H ' ' C ' ' A' ' 25' ' ' ASN . 1.4 mtt180 -54.2 -43.64 70.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 110.273 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.576 HG22 ' O ' ' A' ' 28' ' ' THR . 0.7 OUTLIER -138.93 100.0 3.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.578 1.174 . . . . 0.0 110.396 179.928 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.447 HG22 HG13 ' A' ' 22' ' ' VAL . 6.2 p -134.28 104.43 6.16 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.467 1.104 . . . . 0.0 110.445 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.659 ' N ' ' O ' ' A' ' 21' ' ' PHE . 0.9 OUTLIER -93.42 126.55 38.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 110.39 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 20.6 t80 -116.53 119.02 34.26 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.581 1.176 . . . . 0.0 111.058 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.528 ' CB ' ' O ' ' A' ' 18' ' ' VAL . 0.0 OUTLIER -107.41 164.13 12.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.328 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -47.56 157.24 0.58 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.152 . . . . 0.0 109.268 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 53.05 3.21 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.503 1.791 . . . . 0.0 110.996 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.864 ' HB2' HG21 ' A' ' 18' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.535 0 O-C-N 124.533 1.146 . . . . 0.0 110.344 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.349 -0.611 . . . . 0.0 109.349 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -97.38 -77.9 0.49 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.493 1.12 . . . . 0.0 110.27 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.572 ' HB3' ' CD ' ' A' ' 6' ' ' PRO . 0.0 OUTLIER -73.0 143.35 83.91 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.544 1.153 . . . . 0.0 110.285 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.422 ' O ' ' C ' ' A' ' 5' ' ' LEU . 18.3 Cg_endo -75.01 56.42 4.25 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.532 1.806 . . . . 0.0 111.001 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.618 ' N ' ' HD3' ' A' ' 6' ' ' PRO . 7.2 mp 37.63 54.18 3.49 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.458 1.099 . . . . 0.0 109.297 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.618 ' HD3' ' N ' ' A' ' 5' ' ' LEU . 18.5 Cg_endo -74.93 -160.66 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.419 1.747 . . . . 0.0 110.989 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.503 ' CG ' ' N ' ' A' ' 8' ' ' GLY . 7.9 pt-20 -85.42 -47.12 10.27 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.51 1.131 . . . . 0.0 110.319 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.503 ' N ' ' CG ' ' A' ' 7' ' ' GLU . . . -45.39 -63.4 2.73 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.511 1.132 . . . . 0.0 110.99 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' TRP . . . . . 0.451 ' CD1' ' HG2' ' A' ' 3' ' ' GLU . 0.0 OUTLIER -132.01 159.36 39.0 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.039 -1.097 . . . . 0.0 108.039 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.427 ' O ' ' N ' ' A' ' 22' ' ' VAL . 0.6 OUTLIER -126.25 128.17 46.76 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.485 1.116 . . . . 0.0 110.353 179.966 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.665 HG23 ' HD1' ' A' ' 21' ' ' PHE . 4.4 mt -120.76 120.77 63.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.49 1.119 . . . . 0.0 109.335 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.439 ' HB2' ' CD1' ' A' ' 20' ' ' TYR . 18.9 mmm-85 -113.97 136.37 52.98 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.575 1.172 . . . . 0.0 110.304 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.569 ' HA ' ' CB ' ' A' ' 19' ' ' ARG . 3.9 p90 -114.97 152.14 32.9 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.568 1.167 . . . . 0.0 111.006 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.904 HG21 ' CB ' ' A' ' 36' ' ' ASN . 1.8 m -139.97 -75.61 0.34 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.569 1.168 . . . . 0.0 110.418 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.464 ' O ' ' C ' ' A' ' 16' ' ' GLU . 0.0 OUTLIER -86.67 -179.88 6.66 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.47 1.106 . . . . 0.0 110.285 -179.972 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.464 ' C ' ' O ' ' A' ' 15' ' ' ARG . 8.2 tp10 -32.61 -59.03 0.33 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 110.242 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -144.41 38.48 1.3 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.512 1.132 . . . . 0.0 111.052 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.56 HG21 ' HB2' ' A' ' 35' ' ' ARG . 24.8 t -89.75 -6.23 10.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.512 0.772 . . . . 0.0 109.349 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.569 ' CB ' ' HA ' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -43.4 164.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.521 1.138 . . . . 0.0 110.337 179.956 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.576 ' HA ' HG22 ' A' ' 30' ' ' THR . 0.1 OUTLIER -145.41 167.48 22.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 0.0 111.014 179.966 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.665 ' HD1' HG23 ' A' ' 11' ' ' ILE . 0.9 OUTLIER -126.58 148.73 49.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.554 1.159 . . . . 0.0 110.995 -180.0 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.427 ' N ' ' O ' ' A' ' 10' ' ' GLU . 3.2 p -146.93 109.99 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.405 179.893 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.56 ' N ' ' O ' ' A' ' 28' ' ' THR . 2.3 t70 -79.42 157.75 27.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 109.309 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 36.7 t60 -40.17 -29.2 0.07 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.121 . . . . 0.0 109.558 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.658 ' C ' ' H ' ' A' ' 27' ' ' ARG . 0.6 OUTLIER -130.01 157.75 41.48 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 0.0 109.274 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 47.7 m -54.95 0.85 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.551 1.157 . . . . 0.0 110.46 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.658 ' H ' ' C ' ' A' ' 25' ' ' ASN . 2.8 mtp180 -55.47 -40.23 71.39 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.499 1.124 . . . . 0.0 110.398 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.56 ' O ' ' N ' ' A' ' 23' ' ' ASP . 0.9 OUTLIER -139.08 99.71 3.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.568 1.167 . . . . 0.0 110.382 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.485 ' HA ' ' O ' ' A' ' 21' ' ' PHE . 42.1 p -137.53 108.43 6.7 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.131 . . . . 0.0 110.404 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.64 ' N ' ' O ' ' A' ' 21' ' ' PHE . 0.9 OUTLIER -94.22 122.68 37.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.102 . . . . 0.0 110.356 -179.948 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.451 ' CG ' ' O ' ' A' ' 31' ' ' PHE . 32.0 p90 -117.55 120.09 37.0 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.511 1.132 . . . . 0.0 111.067 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.468 ' CB ' ' O ' ' A' ' 18' ' ' VAL . 0.1 OUTLIER -106.16 164.77 11.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 109.295 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.422 ' O ' HG13 ' A' ' 18' ' ' VAL . 0.5 OUTLIER -45.71 142.91 3.34 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.123 . . . . 0.0 109.369 179.966 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.89 55.25 3.83 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.468 1.773 . . . . 0.0 111.027 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.56 ' HB2' HG21 ' A' ' 18' ' ' VAL . 0.0 OUTLIER -69.44 -23.33 63.67 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.461 1.101 . . . . 0.0 110.292 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ASN . . . . . 0.904 ' CB ' HG21 ' A' ' 14' ' ' THR . 9.2 p30 -60.34 -15.27 24.0 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.52 1.137 . . . . 0.0 109.345 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.486 ' O ' ' C ' ' A' ' 38' ' ' LYS . . . -82.1 39.6 2.62 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.45 1.094 . . . . 0.0 110.973 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.486 ' C ' ' O ' ' A' ' 37' ' ' GLY . 0.0 OUTLIER -34.03 124.14 0.47 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.421 0.718 . . . . 0.0 109.375 179.948 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.575 1.172 . . . . 0.0 110.032 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ASN . . . . . 0.525 ' HA ' HG21 ' A' ' 11' ' ' ILE . 30.1 p-10 . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.448 ' CG ' ' N ' ' A' ' 3' ' ' GLU . 14.2 pt-20 -101.09 -50.81 3.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 110.321 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.546 ' HB3' ' CD ' ' A' ' 6' ' ' PRO . 0.0 OUTLIER -91.7 142.1 26.36 Favored Pre-proline 0 C--N 1.323 -0.551 0 O-C-N 124.572 1.17 . . . . 0.0 110.32 179.937 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.427 ' O ' ' C ' ' A' ' 5' ' ' LEU . 18.0 Cg_endo -75.0 54.88 3.78 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.461 1.769 . . . . 0.0 110.941 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.608 ' N ' ' HD3' ' A' ' 6' ' ' PRO . 0.2 OUTLIER 38.63 53.97 4.31 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.48 1.113 . . . . 0.0 109.278 179.973 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.608 ' HD3' ' N ' ' A' ' 5' ' ' LEU . 18.2 Cg_endo -74.96 -160.69 0.11 Allowed 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.519 1.8 . . . . 0.0 111.004 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.493 ' CG ' ' N ' ' A' ' 8' ' ' GLY . 13.6 pt-20 -81.07 -47.4 13.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 110.376 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.493 ' N ' ' CG ' ' A' ' 7' ' ' GLU . . . -43.83 -63.56 2.21 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.494 1.121 . . . . 0.0 110.981 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' TRP . . . . . 0.452 ' CE3' ' C ' ' A' ' 8' ' ' GLY . 0.0 OUTLIER -136.1 160.21 39.35 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 107.937 -1.135 . . . . 0.0 107.937 -179.92 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -121.17 126.24 49.19 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.534 1.146 . . . . 0.0 110.28 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.592 HG23 ' HD1' ' A' ' 21' ' ' PHE . 2.7 mp -121.16 128.07 75.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 109.276 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.581 ' HB2' ' CE2' ' A' ' 20' ' ' TYR . 0.0 OUTLIER -138.44 140.92 39.48 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.522 1.139 . . . . 0.0 110.299 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.502 ' HB3' ' CB ' ' A' ' 19' ' ' ARG . 17.9 p90 -128.96 161.59 29.56 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.542 1.151 . . . . 0.0 111.003 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.734 HG21 ' HB3' ' A' ' 36' ' ' ASN . 0.3 OUTLIER -141.34 -43.49 0.37 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 110.463 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.459 ' CB ' ' HB ' ' A' ' 18' ' ' VAL . 0.0 OUTLIER -95.49 -179.59 4.81 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.449 1.093 . . . . 0.0 110.28 179.971 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -39.36 -62.19 0.7 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.569 1.168 . . . . 0.0 110.275 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.425 ' HA3' ' NH2' ' A' ' 19' ' ' ARG . . . -136.06 43.47 1.24 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.526 1.141 . . . . 0.0 111.063 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.479 ' O ' ' CG1' ' A' ' 18' ' ' VAL . 0.9 OUTLIER -88.52 -2.56 9.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.569 0.805 . . . . 0.0 109.279 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.502 ' CB ' ' HB3' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -36.01 125.48 0.74 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 110.305 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.659 ' HA ' HG22 ' A' ' 30' ' ' THR . 0.8 OUTLIER -116.8 163.4 16.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 111.021 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.688 ' O ' ' N ' ' A' ' 30' ' ' THR . 1.2 m-85 -131.24 142.65 50.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 110.969 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.483 HG23 ' CD1' ' A' ' 20' ' ' TYR . 65.6 t -145.24 102.61 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 0.0 109.293 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.513 ' N ' ' O ' ' A' ' 28' ' ' THR . 0.5 OUTLIER -75.35 152.2 38.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.446 1.092 . . . . 0.0 109.296 179.949 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 11.9 t60 -40.81 -27.35 0.05 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.442 1.088 . . . . 0.0 109.541 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.659 ' C ' ' H ' ' A' ' 27' ' ' ARG . 0.7 OUTLIER -128.6 159.35 35.83 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 109.307 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.6 t -54.78 1.72 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 110.401 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.659 ' H ' ' C ' ' A' ' 25' ' ' ASN . 1.5 mtt180 -53.66 -43.69 69.03 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.493 1.121 . . . . 0.0 110.28 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.546 HG22 ' O ' ' A' ' 28' ' ' THR . 0.8 OUTLIER -141.07 99.95 3.71 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.456 1.098 . . . . 0.0 110.434 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.532 ' O ' HG23 ' A' ' 29' ' ' THR . 6.6 t -133.22 103.28 5.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 110.354 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.688 ' N ' ' O ' ' A' ' 21' ' ' PHE . 0.9 OUTLIER -94.53 125.83 39.43 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 110.408 179.952 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 36.2 p90 -114.72 120.22 39.34 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.494 1.121 . . . . 0.0 110.942 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.433 ' HB2' ' O ' ' A' ' 18' ' ' VAL . 7.5 mmtt -107.5 164.39 12.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.451 1.094 . . . . 0.0 109.324 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.421 ' CB ' ' HD2' ' A' ' 35' ' ' ARG . 18.7 m-20 -47.15 145.19 3.67 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 109.238 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 52.13 2.98 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.563 1.822 . . . . 0.0 110.994 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.43 ' HB2' HG21 ' A' ' 18' ' ' VAL . 0.6 OUTLIER -71.15 -24.55 62.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.444 1.09 . . . . 0.0 110.31 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ASN . . . . . 0.734 ' HB3' HG21 ' A' ' 14' ' ' THR . 3.0 p-10 -60.6 -15.47 28.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 0.0 109.265 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.488 ' O ' ' C ' ' A' ' 38' ' ' LYS . . . -81.69 40.2 2.6 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.492 1.12 . . . . 0.0 110.955 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.488 ' C ' ' O ' ' A' ' 37' ' ' GLY . 6.6 mtmt -34.13 123.5 0.49 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 0.764 . . . . 0.0 109.305 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.403 1.064 . . . . 0.0 109.977 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' ASN . . . . . 0.419 ' HB3' HG21 ' A' ' 11' ' ' ILE . 19.6 t30 . . . . . 0 N--CA 1.452 -0.354 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -99.05 -78.19 0.5 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.473 1.108 . . . . 0.0 110.297 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.533 ' HB3' ' CD ' ' A' ' 6' ' ' PRO . 0.3 OUTLIER -72.88 144.96 86.07 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 0.0 110.282 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.426 ' O ' ' C ' ' A' ' 5' ' ' LEU . 18.0 Cg_endo -75.03 55.19 3.89 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.58 1.831 . . . . 0.0 110.949 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.607 HD11 ' O ' ' A' ' 11' ' ' ILE . 5.7 mp 37.69 54.68 3.75 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.415 1.072 . . . . 0.0 109.276 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.601 ' HD3' ' N ' ' A' ' 5' ' ' LEU . 18.5 Cg_endo -74.97 -161.28 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.446 1.761 . . . . 0.0 111.039 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.45 ' CG ' ' N ' ' A' ' 8' ' ' GLY . 12.8 pt-20 -83.95 -50.84 7.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 0.0 110.289 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.45 ' N ' ' CG ' ' A' ' 7' ' ' GLU . . . -48.41 -69.67 0.92 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.492 1.12 . . . . 0.0 111.08 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' TRP . . . . . 0.602 ' CD1' ' OD1' ' A' ' 23' ' ' ASP . 39.1 m0 -115.18 161.04 18.96 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -138.6 120.65 15.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 110.363 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.712 HG23 ' HD1' ' A' ' 21' ' ' PHE . 6.6 mt -120.37 121.66 66.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.473 1.108 . . . . 0.0 109.351 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.411 ' HB3' ' CE1' ' A' ' 20' ' ' TYR . 0.3 OUTLIER -118.47 140.0 50.55 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.504 1.128 . . . . 0.0 110.271 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.612 ' CD1' ' N ' ' A' ' 13' ' ' TYR . 0.3 OUTLIER -120.34 154.03 35.62 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.508 1.13 . . . . 0.0 111.027 179.954 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 14' ' ' THR . . . . . 1.055 HG21 ' CB ' ' A' ' 36' ' ' ASN . 0.0 OUTLIER -141.08 -63.95 0.46 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.473 1.108 . . . . 0.0 110.406 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.671 ' H ' HG23 ' A' ' 14' ' ' THR . 0.4 OUTLIER -95.53 -179.94 4.93 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.503 1.127 . . . . 0.0 110.302 -179.956 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.439 ' C ' ' O ' ' A' ' 15' ' ' ARG . 1.4 pp20? -35.76 -55.07 0.72 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.508 1.13 . . . . 0.0 110.33 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -146.12 36.43 1.3 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.49 1.118 . . . . 0.0 111.052 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.654 HG21 ' HB3' ' A' ' 35' ' ' ARG . 4.3 t -89.54 -5.83 10.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.521 0.777 . . . . 0.0 109.282 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.589 ' CB ' ' HA ' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -47.58 163.1 0.05 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.572 1.17 . . . . 0.0 110.323 -179.956 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.614 ' HA ' HG22 ' A' ' 30' ' ' THR . 0.1 OUTLIER -145.17 167.66 22.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.44 1.088 . . . . 0.0 111.053 -179.971 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.712 ' HD1' HG23 ' A' ' 11' ' ' ILE . 0.8 OUTLIER -126.26 147.7 49.64 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.396 1.06 . . . . 0.0 111.024 -179.954 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 92.0 t -145.98 107.51 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.448 1.092 . . . . 0.0 109.291 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.602 ' OD1' ' CD1' ' A' ' 9' ' ' TRP . 1.8 t70 -74.96 157.22 35.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.11 . . . . 0.0 109.323 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.408 ' C ' ' O ' ' A' ' 23' ' ' ASP . 13.3 t-160 -39.27 -29.5 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.556 1.16 . . . . 0.0 109.555 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.669 ' C ' ' H ' ' A' ' 27' ' ' ARG . 1.0 OUTLIER -129.91 157.7 41.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 0.0 109.313 -179.92 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.44 ' HA ' ' CG2' ' A' ' 29' ' ' THR . 15.0 t -54.7 0.92 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.494 1.121 . . . . 0.0 110.443 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.669 ' H ' ' C ' ' A' ' 25' ' ' ASN . 0.7 OUTLIER -55.4 -39.92 70.77 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.553 1.158 . . . . 0.0 110.319 179.966 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.528 ' O ' ' N ' ' A' ' 23' ' ' ASP . 1.1 m -139.01 100.79 4.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 110.394 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.495 ' HA ' ' O ' ' A' ' 21' ' ' PHE . 66.2 p -136.38 109.8 7.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 0.0 110.434 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.625 ' N ' ' O ' ' A' ' 21' ' ' PHE . 0.9 OUTLIER -94.51 124.44 38.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 110.384 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -116.99 128.02 54.77 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.558 1.161 . . . . 0.0 110.992 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.511 ' CB ' ' O ' ' A' ' 18' ' ' VAL . 0.1 OUTLIER -106.16 165.16 11.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 109.255 -179.94 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -46.0 165.66 0.18 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.285 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -74.87 5.37 3.96 Favored 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.451 1.764 . . . . 0.0 111.055 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.654 ' HB3' HG21 ' A' ' 18' ' ' VAL . 0.0 OUTLIER -51.53 -24.97 5.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.544 1.152 . . . . 0.0 110.323 -179.967 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ASN . . . . . 1.055 ' CB ' HG21 ' A' ' 14' ' ' THR . 11.6 p30 -63.81 -13.74 47.0 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.443 1.089 . . . . 0.0 109.304 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.489 ' O ' ' C ' ' A' ' 38' ' ' LYS . . . -83.0 40.09 2.79 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.475 1.11 . . . . 0.0 110.984 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.489 ' C ' ' O ' ' A' ' 37' ' ' GLY . 0.0 OUTLIER -33.72 141.64 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.548 0.793 . . . . 0.0 109.329 -179.972 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 109.95 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' ASN . . . . . 0.484 ' HA ' HG21 ' A' ' 11' ' ' ILE . 10.5 p-10 . . . . . 0 N--CA 1.452 -0.362 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.457 ' CG ' ' N ' ' A' ' 3' ' ' GLU . 15.9 pt-20 -82.75 -49.53 9.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.13 . . . . 0.0 110.316 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.532 ' HB3' ' CD ' ' A' ' 6' ' ' PRO . 0.1 OUTLIER -90.19 146.86 35.68 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 110.298 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.433 ' O ' ' C ' ' A' ' 5' ' ' LEU . 18.3 Cg_endo -74.99 54.33 3.6 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.51 1.795 . . . . 0.0 110.998 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.607 ' N ' ' HD3' ' A' ' 6' ' ' PRO . 7.3 mp 37.34 54.62 3.39 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.411 1.069 . . . . 0.0 109.33 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.607 ' HD3' ' N ' ' A' ' 5' ' ' LEU . 18.3 Cg_endo -75.04 -161.28 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.502 1.79 . . . . 0.0 110.927 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.437 ' CG ' ' N ' ' A' ' 8' ' ' GLY . 11.7 pt-20 -83.63 -46.21 12.61 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.505 1.128 . . . . 0.0 110.309 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.437 ' N ' ' CG ' ' A' ' 7' ' ' GLU . . . -50.58 -62.84 4.88 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.53 1.144 . . . . 0.0 111.016 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' TRP . . . . . 0.448 ' NE1' ' OD2' ' A' ' 23' ' ' ASP . 8.7 m-90 -123.6 160.54 26.86 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.019 -1.104 . . . . 0.0 108.019 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.413 ' O ' ' N ' ' A' ' 22' ' ' VAL . 0.9 OUTLIER -139.62 120.99 14.98 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 110.327 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.708 HG23 ' HD1' ' A' ' 21' ' ' PHE . 5.6 mt -120.1 121.63 66.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.104 . . . . 0.0 109.28 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.433 ' HB2' ' CE1' ' A' ' 20' ' ' TYR . 15.6 mmm180 -115.54 134.33 55.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.527 1.142 . . . . 0.0 110.327 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.532 ' HA ' ' HA ' ' A' ' 19' ' ' ARG . 6.7 p90 -114.5 150.47 34.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.422 1.076 . . . . 0.0 111.038 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.56 HG21 ' CA ' ' A' ' 36' ' ' ASN . 7.5 m -140.04 -89.49 0.18 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 110.417 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.479 ' CD ' ' O ' ' A' ' 35' ' ' ARG . 0.0 OUTLIER -69.55 -178.79 1.52 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.503 1.127 . . . . 0.0 110.297 179.942 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.474 ' C ' ' O ' ' A' ' 15' ' ' ARG . 3.0 pt-20 -32.74 -61.14 0.29 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.575 1.172 . . . . 0.0 110.299 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -144.36 41.41 1.1 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.453 1.096 . . . . 0.0 111.05 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.813 HG21 ' CB ' ' A' ' 35' ' ' ARG . 0.5 OUTLIER -89.25 -6.15 10.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.553 0.796 . . . . 0.0 109.323 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.532 ' HA ' ' HA ' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -41.7 162.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 110.277 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.543 ' HA ' HG22 ' A' ' 30' ' ' THR . 0.1 OUTLIER -148.4 166.7 27.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.437 1.086 . . . . 0.0 111.027 179.958 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.708 ' HD1' HG23 ' A' ' 11' ' ' ILE . 0.8 OUTLIER -124.5 147.88 48.08 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.111 . . . . 0.0 111.022 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.413 ' N ' ' O ' ' A' ' 10' ' ' GLU . 71.6 t -146.69 106.81 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.13 . . . . 0.0 109.311 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.558 ' N ' ' O ' ' A' ' 28' ' ' THR . 3.5 t70 -74.83 156.86 36.02 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 0.0 109.301 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.402 ' C ' ' O ' ' A' ' 23' ' ' ASP . 51.8 t60 -39.61 -28.75 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.54 1.15 . . . . 0.0 109.583 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.665 ' C ' ' H ' ' A' ' 27' ' ' ARG . 0.4 OUTLIER -129.44 156.91 43.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.284 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 2.6 t -55.31 1.0 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 110.34 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.665 ' H ' ' C ' ' A' ' 25' ' ' ASN . 16.0 ptp180 -56.51 -39.36 73.18 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 110.358 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.558 ' O ' ' N ' ' A' ' 23' ' ' ASP . 0.9 OUTLIER -138.08 100.32 4.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.585 1.178 . . . . 0.0 110.393 179.958 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.496 ' HA ' ' O ' ' A' ' 21' ' ' PHE . 1.0 OUTLIER -137.12 108.98 7.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.569 1.168 . . . . 0.0 110.405 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.624 ' N ' ' O ' ' A' ' 21' ' ' PHE . 0.9 OUTLIER -94.52 123.38 37.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.439 1.087 . . . . 0.0 110.383 -179.953 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 34.8 p90 -118.05 129.95 55.87 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.122 . . . . 0.0 111.07 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.424 ' CB ' ' O ' ' A' ' 18' ' ' VAL . 0.0 OUTLIER -106.18 164.51 11.94 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.502 1.126 . . . . 0.0 109.315 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.516 ' C ' ' H ' ' A' ' 35' ' ' ARG . 4.7 m-20 -46.03 164.12 0.21 Allowed Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 109.299 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 30.07 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.484 1.781 . . . . 0.0 111.03 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.813 ' CB ' HG21 ' A' ' 18' ' ' VAL . 0.0 OUTLIER -70.0 -28.93 65.91 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 110.268 -179.967 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ASN . . . . . 0.56 ' CA ' HG21 ' A' ' 14' ' ' THR . 3.0 p-10 -60.96 -15.08 27.34 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.576 1.173 . . . . 0.0 109.317 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.485 ' O ' ' C ' ' A' ' 38' ' ' LYS . . . -81.83 39.82 2.59 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.53 1.144 . . . . 0.0 110.966 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.485 ' C ' ' O ' ' A' ' 37' ' ' GLY . 15.4 mtmt -34.09 120.43 0.44 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.583 0.813 . . . . 0.0 109.342 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 8.3 t . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.113 . . . . 0.0 109.941 -179.958 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' ASN . . . . . 0.662 ' HA ' HG21 ' A' ' 11' ' ' ILE . 1.2 t30 . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.443 ' CG ' ' N ' ' A' ' 3' ' ' GLU . 15.6 pt-20 -76.35 -51.8 11.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 110.338 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.443 ' N ' ' CG ' ' A' ' 2' ' ' GLU . 0.5 OUTLIER -94.87 139.33 22.12 Favored Pre-proline 0 C--N 1.326 -0.424 0 O-C-N 124.551 1.157 . . . . 0.0 110.262 -179.952 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.472 ' O ' ' C ' ' A' ' 5' ' ' LEU . 18.2 Cg_endo -75.07 49.19 2.21 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.56 1.821 . . . . 0.0 111.009 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.627 HD22 ' O ' ' A' ' 11' ' ' ILE . 0.2 OUTLIER 34.77 58.07 2.26 Favored Pre-proline 0 C--N 1.326 -0.433 0 O-C-N 124.442 1.089 . . . . 0.0 109.32 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.542 ' HD3' ' N ' ' A' ' 5' ' ' LEU . 18.4 Cg_endo -74.96 -99.93 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.495 1.787 . . . . 0.0 111.011 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.44 ' CG ' ' N ' ' A' ' 8' ' ' GLY . 10.7 pt-20 -127.13 -54.69 1.38 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.134 . . . . 0.0 110.313 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.44 ' N ' ' CG ' ' A' ' 7' ' ' GLU . . . -37.78 -66.34 0.58 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.5 1.125 . . . . 0.0 111.059 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' TRP . . . . . 0.596 ' CD1' ' CG ' ' A' ' 23' ' ' ASP . 0.0 OUTLIER -137.46 159.08 42.96 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 107.965 -1.124 . . . . 0.0 107.965 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.445 ' HG3' ' CB ' ' A' ' 5' ' ' LEU . 0.0 OUTLIER -117.22 125.12 50.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.45 1.094 . . . . 0.0 110.305 179.968 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.678 HG23 ' HD1' ' A' ' 21' ' ' PHE . 3.7 mt -120.43 121.45 65.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.543 1.152 . . . . 0.0 109.28 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.442 ' HB3' ' CE1' ' A' ' 20' ' ' TYR . 13.3 tpp180 -115.94 139.03 50.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.442 1.089 . . . . 0.0 110.355 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.659 ' CD1' ' N ' ' A' ' 13' ' ' TYR . 0.1 OUTLIER -121.13 152.91 38.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.409 1.068 . . . . 0.0 110.986 -179.944 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.749 HG21 ' HB3' ' A' ' 36' ' ' ASN . 0.0 OUTLIER -140.58 -66.53 0.43 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.138 . . . . 0.0 110.389 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.711 ' H ' HG23 ' A' ' 14' ' ' THR . 0.8 OUTLIER -92.77 179.3 5.52 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.429 1.08 . . . . 0.0 110.353 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.459 ' C ' ' O ' ' A' ' 15' ' ' ARG . 33.4 tp10 -34.18 -57.59 0.48 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.468 1.105 . . . . 0.0 110.245 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -144.29 36.45 1.47 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.519 1.137 . . . . 0.0 110.999 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.795 HG21 ' CB ' ' A' ' 35' ' ' ARG . 14.3 t -89.34 -4.43 10.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.437 0.728 . . . . 0.0 109.336 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.57 ' CB ' ' HA ' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -48.58 166.66 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 110.319 179.957 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.565 ' HA ' HG22 ' A' ' 30' ' ' THR . 0.1 OUTLIER -147.2 167.21 24.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.425 1.078 . . . . 0.0 111.051 179.973 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.678 ' HD1' HG23 ' A' ' 11' ' ' ILE . 0.6 OUTLIER -127.5 146.94 50.33 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.575 1.172 . . . . 0.0 110.998 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.414 ' O ' HG13 ' A' ' 22' ' ' VAL . 7.6 p -145.68 109.75 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 109.362 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.596 ' CG ' ' CD1' ' A' ' 9' ' ' TRP . 0.1 OUTLIER -79.4 155.18 28.49 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.485 1.116 . . . . 0.0 109.276 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.401 ' C ' ' O ' ' A' ' 23' ' ' ASP . 7.9 t-160 -39.81 -28.7 0.05 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.441 1.088 . . . . 0.0 109.549 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.673 ' C ' ' H ' ' A' ' 27' ' ' ARG . 2.5 m-20 -129.28 158.17 39.82 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.523 1.14 . . . . 0.0 109.259 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 8.2 t -54.59 1.32 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.451 1.094 . . . . 0.0 110.437 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.673 ' H ' ' C ' ' A' ' 25' ' ' ASN . 3.0 mtp180 -54.95 -42.58 72.49 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.449 1.093 . . . . 0.0 110.295 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.567 ' O ' ' N ' ' A' ' 23' ' ' ASP . 0.8 OUTLIER -137.71 100.67 4.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 110.359 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.446 ' HA ' ' O ' ' A' ' 21' ' ' PHE . 8.9 m -135.18 104.41 5.89 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.475 1.11 . . . . 0.0 110.438 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.644 ' N ' ' O ' ' A' ' 21' ' ' PHE . 1.0 OUTLIER -94.12 122.99 37.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.141 . . . . 0.0 110.427 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -117.5 120.55 38.45 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.488 1.117 . . . . 0.0 110.982 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.454 ' HB2' ' O ' ' A' ' 18' ' ' VAL . 8.3 mmmt -105.78 163.78 12.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.312 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.519 ' O ' HG13 ' A' ' 18' ' ' VAL . 0.8 OUTLIER -46.94 147.2 2.37 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.604 1.19 . . . . 0.0 109.318 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 52.38 3.03 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.436 1.756 . . . . 0.0 110.983 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.795 ' CB ' HG21 ' A' ' 18' ' ' VAL . 0.0 OUTLIER -70.73 -25.32 62.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 110.335 179.933 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ASN . . . . . 0.749 ' HB3' HG21 ' A' ' 14' ' ' THR . 7.1 p-10 -64.64 -11.21 32.97 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.463 1.102 . . . . 0.0 109.305 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.491 ' O ' ' C ' ' A' ' 38' ' ' LYS . . . -82.54 36.86 2.61 Favored Glycine 0 CA--C 1.531 1.072 0 O-C-N 124.471 1.107 . . . . 0.0 110.953 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.491 ' C ' ' O ' ' A' ' 37' ' ' GLY . 0.3 OUTLIER -33.97 119.42 0.4 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 0.753 . . . . 0.0 109.316 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 4.5 m . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.57 1.169 . . . . 0.0 110.019 179.984 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' ASN . . . . . 0.783 ' HA ' HG21 ' A' ' 11' ' ' ILE . 13.4 p-10 . . . . . 0 N--CA 1.452 -0.344 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.491 ' HG2' HD13 ' A' ' 11' ' ' ILE . 12.6 pt-20 -82.15 -50.19 9.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.409 1.068 . . . . 0.0 110.324 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.507 ' HB3' ' CD ' ' A' ' 6' ' ' PRO . 0.1 OUTLIER -91.55 148.18 36.86 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 110.308 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.464 ' O ' ' C ' ' A' ' 5' ' ' LEU . 18.2 Cg_endo -75.01 55.01 3.82 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.511 1.795 . . . . 0.0 110.976 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.665 HD11 ' O ' ' A' ' 11' ' ' ILE . 8.6 mp 36.0 55.87 2.76 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 109.279 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.583 ' HD3' ' N ' ' A' ' 5' ' ' LEU . 18.4 Cg_endo -74.97 -162.02 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.413 1.744 . . . . 0.0 111.0 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.422 ' HG3' ' N ' ' A' ' 8' ' ' GLY . 12.5 pt-20 -84.11 -45.96 12.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 110.29 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.422 ' N ' ' HG3' ' A' ' 7' ' ' GLU . . . -55.74 -66.94 2.48 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.496 1.123 . . . . 0.0 110.968 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' TRP . . . . . 0.766 ' CZ3' HG21 ' A' ' 28' ' ' THR . 16.7 m0 -109.24 159.07 17.24 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 108.048 -1.093 . . . . 0.0 108.048 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -142.32 120.25 12.02 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.443 1.089 . . . . 0.0 110.315 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.783 HG21 ' HA ' ' A' ' 1' ' ' ASN . 5.3 mt -120.61 121.79 66.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 109.278 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.61 ' HB2' ' CE2' ' A' ' 20' ' ' TYR . 19.6 mmt180 -117.5 132.57 56.52 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 110.311 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.531 ' HA ' ' HA ' ' A' ' 19' ' ' ARG . 9.6 p90 -115.1 148.03 39.46 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 110.977 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.543 HG21 ' HA ' ' A' ' 36' ' ' ASN . 5.6 m -139.69 -95.16 0.16 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.14 . . . . 0.0 110.356 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.487 ' O ' ' C ' ' A' ' 16' ' ' GLU . 0.0 OUTLIER -58.7 -179.5 0.06 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.482 1.114 . . . . 0.0 110.291 -179.953 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.487 ' C ' ' O ' ' A' ' 15' ' ' ARG . 34.7 tt0 -32.09 -61.01 0.26 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.13 . . . . 0.0 110.293 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -148.43 42.31 0.85 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.439 1.087 . . . . 0.0 111.019 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.524 ' O ' ' CB ' ' A' ' 32' ' ' LYS . 0.3 OUTLIER -88.98 -4.54 10.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 O-C-N 124.462 0.742 . . . . 0.0 109.32 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.531 ' HA ' ' HA ' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -38.5 158.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 110.27 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.61 ' CE2' ' HB2' ' A' ' 12' ' ' ARG . 1.5 p90 -142.99 162.05 36.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.113 . . . . 0.0 110.978 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.748 ' HD1' HG23 ' A' ' 11' ' ' ILE . 0.6 OUTLIER -127.39 143.65 51.18 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.508 1.13 . . . . 0.0 110.974 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.478 HG22 HG23 ' A' ' 29' ' ' THR . 63.9 t -145.44 107.0 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.533 1.145 . . . . 0.0 109.309 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.606 ' OD1' ' CD1' ' A' ' 9' ' ' TRP . 58.5 t0 -77.57 153.29 33.44 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.555 1.159 . . . . 0.0 109.297 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.465 ' N ' ' OD1' ' A' ' 23' ' ' ASP . 72.8 t60 -39.79 -28.21 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.155 . . . . 0.0 109.649 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.662 ' C ' ' H ' ' A' ' 27' ' ' ARG . 4.0 m-20 -128.94 158.88 37.58 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.571 1.17 . . . . 0.0 109.241 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 5.2 t -55.0 1.65 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 110.347 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.662 ' H ' ' C ' ' A' ' 25' ' ' ASN . 0.0 OUTLIER -54.43 -42.97 71.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 110.309 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.766 HG21 ' CZ3' ' A' ' 9' ' ' TRP . 0.8 OUTLIER -139.23 100.51 4.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 0.0 110.384 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.478 HG23 HG22 ' A' ' 22' ' ' VAL . 16.9 m -134.53 105.4 6.51 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.464 1.103 . . . . 0.0 110.436 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.651 ' N ' ' O ' ' A' ' 21' ' ' PHE . 0.9 OUTLIER -93.0 127.02 38.37 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.507 1.129 . . . . 0.0 110.394 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -116.16 118.89 34.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.115 . . . . 0.0 110.968 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.524 ' CB ' ' O ' ' A' ' 18' ' ' VAL . 0.0 OUTLIER -107.31 164.71 11.95 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.484 1.115 . . . . 0.0 109.229 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -46.92 160.69 0.32 Allowed Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.549 1.156 . . . . 0.0 109.314 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 7.24 2.97 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.463 1.77 . . . . 0.0 110.97 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.89 -22.92 4.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 110.276 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ASN . . . . . 0.543 ' HA ' HG21 ' A' ' 14' ' ' THR . 0.6 OUTLIER -66.71 -9.74 39.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.449 1.093 . . . . 0.0 109.33 179.948 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.478 ' O ' ' C ' ' A' ' 38' ' ' LYS . . . -83.18 35.89 2.76 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.544 1.152 . . . . 0.0 110.99 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.478 ' C ' ' O ' ' A' ' 37' ' ' GLY . 0.7 OUTLIER -33.95 100.76 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.511 0.771 . . . . 0.0 109.297 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.412 ' N ' ' O ' ' A' ' 37' ' ' GLY . 57.4 p . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.455 1.097 . . . . 0.0 109.995 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' ASN . . . . . 0.609 ' N ' ' CZ ' ' A' ' 13' ' ' TYR . 1.5 p-10 . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 14.7 pt-20 -42.16 -49.18 4.9 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.546 1.154 . . . . 0.0 110.259 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.475 ' HB2' ' CD1' ' A' ' 11' ' ' ILE . 0.0 OUTLIER -103.67 156.2 35.89 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 110.311 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.63 ' O ' HD23 ' A' ' 5' ' ' LEU . 18.3 Cg_endo -75.06 -68.53 0.02 OUTLIER 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.498 1.788 . . . . 0.0 111.0 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.777 HD11 ' CG ' ' A' ' 10' ' ' GLU . 0.2 OUTLIER 172.64 -57.72 0.0 OUTLIER Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.491 1.119 . . . . 0.0 109.331 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.466 ' HD3' ' CB ' ' A' ' 5' ' ' LEU . 18.4 Cg_endo -74.96 53.69 3.4 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.479 1.779 . . . . 0.0 111.023 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.473 ' CG ' ' N ' ' A' ' 8' ' ' GLY . 0.0 OUTLIER -120.65 -66.13 1.08 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.446 1.091 . . . . 0.0 110.309 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.488 ' C ' ' CE3' ' A' ' 9' ' ' TRP . . . -167.49 -41.6 0.02 OUTLIER Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.477 1.111 . . . . 0.0 110.962 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' TRP . . . . . 0.55 ' CE3' ' OD2' ' A' ' 23' ' ' ASP . 0.0 OUTLIER -111.03 159.42 17.79 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 107.958 -1.127 . . . . 0.0 107.958 -179.945 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.777 ' CG ' HD11 ' A' ' 5' ' ' LEU . 0.4 OUTLIER -107.02 122.02 45.63 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.541 1.151 . . . . 0.0 110.336 179.929 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.947 HG23 ' CD1' ' A' ' 21' ' ' PHE . 19.6 mt -119.9 135.12 61.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.402 1.063 . . . . 0.0 109.326 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.583 ' HB3' ' CE2' ' A' ' 20' ' ' TYR . 5.2 tpt180 -138.1 123.01 18.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 110.294 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.609 ' CZ ' ' N ' ' A' ' 1' ' ' ASN . 3.2 m-85 -97.98 150.77 21.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.452 1.095 . . . . 0.0 110.978 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.498 ' OG1' ' N ' ' A' ' 15' ' ' ARG . 51.3 p -139.23 -103.71 0.17 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.107 . . . . 0.0 110.41 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.498 ' N ' ' OG1' ' A' ' 14' ' ' THR . 0.0 OUTLIER -61.85 -179.45 0.2 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 110.345 179.921 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.492 ' C ' ' O ' ' A' ' 15' ' ' ARG . 4.6 pt-20 -30.97 -59.98 0.21 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.551 1.157 . . . . 0.0 110.263 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -144.25 40.17 1.19 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.458 1.099 . . . . 0.0 110.995 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.833 HG21 ' HB2' ' A' ' 35' ' ' ARG . 2.8 t -89.42 -4.26 10.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.556 0.798 . . . . 0.0 109.34 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.576 ' HD3' ' CE1' ' A' ' 21' ' ' PHE . 4.0 ppt_? -36.91 159.48 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.607 1.192 . . . . 0.0 110.253 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.6 ' CD1' ' C ' ' A' ' 20' ' ' TYR . 0.4 OUTLIER -149.36 155.91 41.23 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.524 1.14 . . . . 0.0 110.988 -179.973 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.947 ' CD1' HG23 ' A' ' 11' ' ' ILE . 0.8 OUTLIER -128.95 148.19 50.91 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.502 1.126 . . . . 0.0 110.971 -179.937 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 94.8 t -146.84 105.55 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.587 1.18 . . . . 0.0 109.307 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.568 ' N ' ' O ' ' A' ' 28' ' ' THR . 6.5 t0 -75.28 154.6 37.33 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.606 1.192 . . . . 0.0 109.313 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 5.3 t-80 -40.19 -28.05 0.05 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 109.602 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.654 ' C ' ' H ' ' A' ' 27' ' ' ARG . 45.6 m-20 -129.02 157.94 40.29 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 0.0 109.281 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 8.9 t -55.35 1.6 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 110.393 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.654 ' H ' ' C ' ' A' ' 25' ' ' ASN . 2.7 ptm85 -54.99 -42.46 72.49 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.454 1.096 . . . . 0.0 110.28 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.568 ' O ' ' N ' ' A' ' 23' ' ' ASP . 0.8 OUTLIER -139.19 100.02 3.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 110.39 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.439 ' HA ' ' O ' ' A' ' 21' ' ' PHE . 0.0 OUTLIER -135.59 104.52 5.83 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 0.0 110.409 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.641 ' N ' ' O ' ' A' ' 21' ' ' PHE . 1.0 OUTLIER -94.15 123.37 37.49 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.117 . . . . 0.0 110.428 180.0 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.418 ' O ' ' CG ' ' A' ' 31' ' ' PHE . 34.5 p90 -118.93 119.72 35.15 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.552 1.158 . . . . 0.0 110.982 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.459 ' CB ' ' O ' ' A' ' 18' ' ' VAL . 0.0 OUTLIER -107.8 164.27 12.4 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.581 1.175 . . . . 0.0 109.299 179.975 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -47.0 146.26 2.86 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.555 1.159 . . . . 0.0 109.314 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 47.32 1.71 Allowed 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.473 1.775 . . . . 0.0 110.983 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.833 ' HB2' HG21 ' A' ' 18' ' ' VAL . 0.3 OUTLIER -70.99 -31.93 68.6 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.468 1.105 . . . . 0.0 110.308 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ASN . . . . . 0.41 ' HB3' ' CB ' ' A' ' 14' ' ' THR . 8.3 p-10 -60.03 -14.37 16.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 109.333 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.485 ' O ' ' C ' ' A' ' 38' ' ' LYS . . . -81.92 38.89 2.54 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.416 1.073 . . . . 0.0 111.025 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.485 ' C ' ' O ' ' A' ' 37' ' ' GLY . 0.7 OUTLIER -33.95 136.79 0.11 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.527 0.781 . . . . 0.0 109.291 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 38.3 t . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.586 1.179 . . . . 0.0 110.014 179.954 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 10.5 p30 . . . . . 0 N--CA 1.454 -0.248 0 N-CA-C 109.281 -0.636 . . . . 0.0 109.281 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.441 ' CG ' ' N ' ' A' ' 3' ' ' GLU . 11.3 pt-20 -80.73 -51.59 8.49 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.523 1.14 . . . . 0.0 110.335 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.538 ' HB3' ' CD ' ' A' ' 6' ' ' PRO . 0.0 OUTLIER -93.6 142.67 25.45 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.456 1.097 . . . . 0.0 110.403 179.947 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.972 ' C ' HD22 ' A' ' 5' ' ' LEU . 18.2 Cg_endo -74.95 54.98 3.78 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.462 1.77 . . . . 0.0 111.003 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.989 HD12 ' O ' ' A' ' 11' ' ' ILE . 0.0 OUTLIER 37.75 54.21 3.62 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.358 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.61 ' HD3' ' N ' ' A' ' 5' ' ' LEU . 18.2 Cg_endo -75.04 -160.99 0.11 Allowed 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.475 1.776 . . . . 0.0 111.015 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.482 ' CG ' ' N ' ' A' ' 8' ' ' GLY . 9.3 pt-20 -81.37 -47.1 13.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 0.0 110.333 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.482 ' N ' ' CG ' ' A' ' 7' ' ' GLU . . . -45.0 -64.26 2.26 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.491 1.119 . . . . 0.0 110.946 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' TRP . . . . . 0.441 ' CD1' ' N ' ' A' ' 9' ' ' TRP . 0.0 OUTLIER -131.97 159.55 38.4 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.01 -1.107 . . . . 0.0 108.01 -179.986 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -124.42 125.53 44.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 110.27 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.989 ' O ' HD12 ' A' ' 5' ' ' LEU . 3.1 mt -121.44 123.99 70.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.444 1.09 . . . . 0.0 109.353 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.435 ' O ' ' N ' ' A' ' 20' ' ' TYR . 0.3 OUTLIER -117.6 139.18 51.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.451 1.095 . . . . 0.0 110.31 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.546 ' HA ' ' HA ' ' A' ' 19' ' ' ARG . 3.6 p90 -113.99 151.26 32.65 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.482 1.114 . . . . 0.0 110.997 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.738 HG21 ' OH ' ' A' ' 20' ' ' TYR . 11.2 p -139.86 -62.95 0.51 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 110.431 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.502 ' N ' ' OG1' ' A' ' 14' ' ' THR . 0.0 OUTLIER -98.2 179.49 4.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.146 . . . . 0.0 110.351 179.968 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.445 ' C ' ' O ' ' A' ' 15' ' ' ARG . 0.0 OUTLIER -34.98 -52.39 0.55 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 110.313 179.968 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -149.72 36.32 0.99 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.526 1.141 . . . . 0.0 110.966 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.699 HG21 ' CB ' ' A' ' 35' ' ' ARG . 4.7 t -89.51 -7.4 10.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.539 0.787 . . . . 0.0 109.292 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.546 ' HA ' ' HA ' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -39.31 154.76 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.515 1.134 . . . . 0.0 110.201 -179.949 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.738 ' OH ' HG21 ' A' ' 14' ' ' THR . 0.1 OUTLIER -130.18 167.41 18.44 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.545 1.153 . . . . 0.0 110.955 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.642 ' O ' ' N ' ' A' ' 30' ' ' THR . 1.3 m-85 -130.87 144.76 51.7 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.495 1.122 . . . . 0.0 111.002 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 91.9 t -146.51 108.58 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.458 1.099 . . . . 0.0 109.331 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.495 ' N ' ' O ' ' A' ' 28' ' ' THR . 3.8 t0 -74.77 159.05 32.48 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.568 1.168 . . . . 0.0 109.29 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.403 ' C ' ' O ' ' A' ' 23' ' ' ASP . 57.3 t60 -39.8 -29.48 0.06 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.476 1.11 . . . . 0.0 109.631 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.669 ' C ' ' H ' ' A' ' 27' ' ' ARG . 3.2 m120 -130.35 157.57 42.21 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.472 1.107 . . . . 0.0 109.247 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 8.8 t -54.91 1.12 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.56 1.162 . . . . 0.0 110.418 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.669 ' H ' ' C ' ' A' ' 25' ' ' ASN . 0.0 OUTLIER -55.51 -40.82 72.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 110.294 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.526 HG22 ' O ' ' A' ' 28' ' ' THR . 0.8 OUTLIER -137.57 100.75 4.3 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.503 1.127 . . . . 0.0 110.416 -179.967 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.506 ' HA ' ' O ' ' A' ' 21' ' ' PHE . 1.5 t -137.3 116.27 12.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 110.463 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.642 ' N ' ' O ' ' A' ' 21' ' ' PHE . 0.9 OUTLIER -95.68 125.41 40.24 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.456 1.098 . . . . 0.0 110.44 -179.929 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.475 ' O ' ' CD2' ' A' ' 31' ' ' PHE . 49.0 p90 -119.44 118.23 30.56 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.561 1.163 . . . . 0.0 111.064 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -108.22 162.48 14.04 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.436 1.085 . . . . 0.0 109.291 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -49.37 153.9 1.68 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 109.234 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.13 53.84 3.52 Favored 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.549 1.815 . . . . 0.0 111.005 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.699 ' CB ' HG21 ' A' ' 18' ' ' VAL . 8.9 mmt180 -70.05 -28.42 65.44 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.12 . . . . 0.0 110.334 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 23.3 p-10 -61.3 -14.93 30.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 109.313 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.481 ' O ' ' C ' ' A' ' 38' ' ' LYS . . . -81.84 39.88 2.6 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.394 1.059 . . . . 0.0 111.062 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.481 ' C ' ' O ' ' A' ' 37' ' ' GLY . 2.9 ptpt -34.1 123.96 0.48 Allowed 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.438 0.729 . . . . 0.0 109.275 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 8.1 t . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 0.0 109.994 179.958 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' ASN . . . . . 0.594 ' OD1' ' CD1' ' A' ' 13' ' ' TYR . 63.0 m-80 . . . . . 0 N--CA 1.452 -0.35 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -42.85 -77.96 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.545 1.153 . . . . 0.0 110.323 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.541 ' HB3' ' CD ' ' A' ' 6' ' ' PRO . 0.0 OUTLIER -85.25 141.38 37.11 Favored Pre-proline 0 C--N 1.326 -0.433 0 O-C-N 124.471 1.107 . . . . 0.0 110.3 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.418 ' O ' ' C ' ' A' ' 5' ' ' LEU . 18.2 Cg_endo -75.01 54.83 3.77 Favored 'Trans proline' 0 C--N 1.359 1.099 0 O-C-N 124.465 1.771 . . . . 0.0 110.983 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.615 ' N ' ' HD3' ' A' ' 6' ' ' PRO . 0.1 OUTLIER 38.68 53.98 4.35 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.403 1.064 . . . . 0.0 109.263 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.615 ' HD3' ' N ' ' A' ' 5' ' ' LEU . 18.4 Cg_endo -74.98 -161.11 0.11 Allowed 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.43 1.752 . . . . 0.0 110.967 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.504 ' CG ' ' N ' ' A' ' 8' ' ' GLY . 7.2 pt-20 -78.74 -47.5 16.71 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.52 1.137 . . . . 0.0 110.294 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.504 ' N ' ' CG ' ' A' ' 7' ' ' GLU . . . -43.72 -64.33 1.91 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.576 1.173 . . . . 0.0 110.992 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' TRP . . . . . 0.466 ' CD1' ' N ' ' A' ' 9' ' ' TRP . 0.0 OUTLIER -136.03 159.74 40.78 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.007 -1.108 . . . . 0.0 108.007 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.483 ' HB3' ' CG1' ' A' ' 22' ' ' VAL . 1.1 tt0 -119.55 120.51 36.96 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.507 1.13 . . . . 0.0 110.253 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.654 HG23 ' HD1' ' A' ' 21' ' ' PHE . 3.1 mt -120.67 131.04 73.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.512 1.133 . . . . 0.0 109.312 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.594 ' HB3' ' CE2' ' A' ' 20' ' ' TYR . 0.0 OUTLIER -137.14 121.89 18.66 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.502 1.126 . . . . 0.0 110.227 -179.95 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.594 ' CD1' ' OD1' ' A' ' 1' ' ' ASN . 3.5 m-30 -92.78 151.1 20.21 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.521 1.138 . . . . 0.0 110.98 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.797 HG21 ' HA ' ' A' ' 36' ' ' ASN . 94.9 m -137.83 -109.23 0.18 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 110.373 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.47 ' CB ' ' HB ' ' A' ' 18' ' ' VAL . 0.2 OUTLIER -57.01 179.71 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.527 1.142 . . . . 0.0 110.296 180.0 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.463 ' C ' ' O ' ' A' ' 15' ' ' ARG . 4.3 pt-20 -33.73 -57.05 0.45 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 110.254 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -142.16 39.05 1.41 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.491 1.12 . . . . 0.0 111.019 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.689 HG21 ' HB2' ' A' ' 35' ' ' ARG . 2.1 t -89.88 -4.9 10.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.466 0.745 . . . . 0.0 109.26 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.554 ' HA ' ' HA ' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -37.65 161.22 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 110.323 179.962 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.685 ' HA ' HG22 ' A' ' 30' ' ' THR . 2.1 p90 -152.62 164.62 37.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 110.981 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.654 ' HD1' HG23 ' A' ' 11' ' ' ILE . 1.0 OUTLIER -139.48 148.32 42.54 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.561 1.163 . . . . 0.0 111.047 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.483 ' CG1' ' HB3' ' A' ' 10' ' ' GLU . 7.5 p -145.41 112.42 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.243 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.522 ' N ' ' O ' ' A' ' 28' ' ' THR . 7.4 t0 -79.95 156.15 27.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.12 . . . . 0.0 109.301 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 3.1 t60 -40.57 -28.4 0.07 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 109.601 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.668 ' C ' ' H ' ' A' ' 27' ' ' ARG . 12.0 m120 -129.61 157.93 40.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.135 . . . . 0.0 109.267 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 10.0 t -55.14 1.32 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.491 1.119 . . . . 0.0 110.454 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.668 ' H ' ' C ' ' A' ' 25' ' ' ASN . 9.5 ptm180 -55.33 -42.63 74.05 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.431 1.082 . . . . 0.0 110.344 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.527 HG22 ' O ' ' A' ' 28' ' ' THR . 0.8 OUTLIER -137.87 99.83 4.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.12 . . . . 0.0 110.381 179.964 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.503 ' O ' HG23 ' A' ' 29' ' ' THR . 12.7 t -137.27 111.15 8.22 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.546 1.154 . . . . 0.0 110.391 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.685 HG22 ' HA ' ' A' ' 20' ' ' TYR . 0.9 OUTLIER -93.81 125.86 38.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 110.412 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -115.24 122.99 47.69 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.432 1.082 . . . . 0.0 111.025 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.505 ' CB ' ' O ' ' A' ' 18' ' ' VAL . 0.0 OUTLIER -106.7 164.53 12.01 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.474 1.109 . . . . 0.0 109.254 -179.971 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -46.76 168.67 0.12 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 109.294 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.06 3.68 5.43 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.477 1.777 . . . . 0.0 110.972 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.689 ' HB2' HG21 ' A' ' 18' ' ' VAL . 0.0 OUTLIER -52.45 -32.65 40.53 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.51 1.131 . . . . 0.0 110.266 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ASN . . . . . 0.797 ' HA ' HG21 ' A' ' 14' ' ' THR . 4.2 p-10 -60.71 -25.06 66.14 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.572 1.17 . . . . 0.0 109.341 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.477 ' O ' ' C ' ' A' ' 38' ' ' LYS . . . -79.29 45.86 2.9 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.47 1.106 . . . . 0.0 111.039 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.629 ' HE2' HG22 ' A' ' 14' ' ' THR . 0.3 OUTLIER -33.48 121.48 0.41 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.592 0.819 . . . . 0.0 109.313 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 47.0 t . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.462 1.101 . . . . 0.0 109.991 179.972 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' ASN . . . . . 0.706 ' HA ' HG21 ' A' ' 11' ' ' ILE . 3.5 t-20 . . . . . 0 N--CA 1.453 -0.325 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.452 ' CG ' ' N ' ' A' ' 3' ' ' GLU . 11.6 pt-20 -107.65 -52.11 2.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 110.274 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.543 ' H ' HD13 ' A' ' 11' ' ' ILE . 0.0 OUTLIER -88.96 171.73 8.61 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.539 1.149 . . . . 0.0 110.273 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.597 ' O ' HD13 ' A' ' 5' ' ' LEU . 18.4 Cg_endo -74.9 -74.31 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.485 1.781 . . . . 0.0 111.049 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.597 HD13 ' O ' ' A' ' 4' ' ' PRO . 1.2 tp 173.91 -57.8 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 109.284 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.462 ' HD3' ' CB ' ' A' ' 5' ' ' LEU . 18.1 Cg_endo -74.98 -9.47 20.82 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.529 1.804 . . . . 0.0 111.03 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -47.74 -66.07 0.46 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 110.372 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -164.93 -40.93 0.02 OUTLIER Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.518 1.136 . . . . 0.0 110.985 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' TRP . . . . . 0.408 ' HA ' ' HA ' ' A' ' 23' ' ' ASP . 0.0 OUTLIER -115.63 161.67 18.33 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 -179.961 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -105.35 126.63 52.32 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.555 1.159 . . . . 0.0 110.306 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.748 HG23 ' CD1' ' A' ' 21' ' ' PHE . 6.9 mt -120.33 122.06 67.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 0.0 109.264 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.599 ' HB2' ' CE2' ' A' ' 20' ' ' TYR . 7.0 mmm180 -120.2 140.12 51.62 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.452 1.095 . . . . 0.0 110.233 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.538 ' HA ' ' HA ' ' A' ' 19' ' ' ARG . 2.5 p90 -114.51 151.7 32.9 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.456 1.098 . . . . 0.0 111.032 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.839 HG21 ' CA ' ' A' ' 36' ' ' ASN . 2.2 m -138.5 -79.13 0.35 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 110.377 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.49 ' O ' ' C ' ' A' ' 16' ' ' GLU . 0.0 OUTLIER -83.89 -179.16 7.2 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.48 1.113 . . . . 0.0 110.347 179.966 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.49 ' C ' ' O ' ' A' ' 15' ' ' ARG . 11.5 tp10 -30.69 -59.48 0.2 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.409 1.068 . . . . 0.0 110.292 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -147.1 39.48 1.06 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.456 1.097 . . . . 0.0 111.023 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.864 HG21 ' HB2' ' A' ' 35' ' ' ARG . 0.5 OUTLIER -89.63 -4.73 10.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.506 0.768 . . . . 0.0 109.239 -179.953 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.538 ' HA ' ' HA ' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -38.07 157.86 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.456 1.098 . . . . 0.0 110.31 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.628 ' HA ' HG22 ' A' ' 30' ' ' THR . 1.3 p90 -139.26 161.57 37.1 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.539 1.149 . . . . 0.0 111.086 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.748 ' CD1' HG23 ' A' ' 11' ' ' ILE . 1.1 m-85 -127.64 143.81 51.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.411 1.07 . . . . 0.0 111.012 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.447 HG13 HG22 ' A' ' 29' ' ' THR . 94.2 t -145.48 107.03 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.533 1.146 . . . . 0.0 109.259 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.572 ' N ' ' O ' ' A' ' 28' ' ' THR . 10.1 t0 -78.45 153.45 31.45 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 0.0 109.367 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 15.4 t-160 -40.24 -28.2 0.06 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.611 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.657 ' C ' ' H ' ' A' ' 27' ' ' ARG . 7.6 m120 -128.95 159.31 36.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.455 1.097 . . . . 0.0 109.279 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 13.6 t -54.78 1.52 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.47 1.106 . . . . 0.0 110.437 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.657 ' H ' ' C ' ' A' ' 25' ' ' ASN . 1.4 mtt180 -54.2 -43.64 70.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 110.273 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.576 HG22 ' O ' ' A' ' 28' ' ' THR . 0.7 OUTLIER -138.93 100.0 3.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.578 1.174 . . . . 0.0 110.396 179.928 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.447 HG22 HG13 ' A' ' 22' ' ' VAL . 6.2 p -134.28 104.43 6.16 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.467 1.104 . . . . 0.0 110.445 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.659 ' N ' ' O ' ' A' ' 21' ' ' PHE . 0.9 OUTLIER -93.42 126.55 38.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 110.39 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 20.6 t80 -116.53 119.02 34.26 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.581 1.176 . . . . 0.0 111.058 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.528 ' CB ' ' O ' ' A' ' 18' ' ' VAL . 0.0 OUTLIER -107.41 164.13 12.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.328 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -47.56 157.24 0.58 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.152 . . . . 0.0 109.268 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 53.05 3.21 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.503 1.791 . . . . 0.0 110.996 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.864 ' HB2' HG21 ' A' ' 18' ' ' VAL . 0.0 OUTLIER -70.12 -41.29 74.15 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.533 1.146 . . . . 0.0 110.344 179.951 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ASN . . . . . 0.839 ' CA ' HG21 ' A' ' 14' ' ' THR . 14.8 p-10 -67.29 -9.15 37.98 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.481 1.113 . . . . 0.0 109.298 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.481 ' O ' ' C ' ' A' ' 38' ' ' LYS . . . -83.31 34.71 2.84 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.471 1.107 . . . . 0.0 110.979 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.481 ' C ' ' O ' ' A' ' 37' ' ' GLY . 0.0 OUTLIER -33.96 141.59 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 0.74 . . . . 0.0 109.308 179.951 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 74.8 p . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.54 1.15 . . . . 0.0 110.026 179.995 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 110.27 -0.27 . . . . 0.0 110.27 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . 0.451 ' HG2' ' CD1' ' A' ' 9' ' ' TRP . 0.0 OUTLIER -73.0 143.35 83.91 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.544 1.153 . . . . 0.0 110.285 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.164 0 O-C-N 124.532 1.806 . . . . 0.0 111.001 179.972 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . 0.451 ' CD1' ' HG2' ' A' ' 3' ' ' GLU . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 108.039 -1.097 . . . . 0.0 108.039 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.427 ' O ' ' N ' ' A' ' 22' ' ' VAL . 0.6 OUTLIER -126.25 128.17 46.76 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.485 1.116 . . . . 0.0 110.353 179.966 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.665 HG23 ' HD1' ' A' ' 21' ' ' PHE . 4.4 mt -120.76 120.77 63.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.49 1.119 . . . . 0.0 109.335 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.439 ' HB2' ' CD1' ' A' ' 20' ' ' TYR . 18.9 mmm-85 -113.97 136.37 52.98 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.575 1.172 . . . . 0.0 110.304 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.569 ' HA ' ' CB ' ' A' ' 19' ' ' ARG . 3.9 p90 -114.97 152.14 32.9 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.568 1.167 . . . . 0.0 111.006 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.8 m -139.97 -75.61 0.34 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.569 1.168 . . . . 0.0 110.418 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.464 ' O ' ' C ' ' A' ' 16' ' ' GLU . 0.0 OUTLIER -86.67 -179.88 6.66 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.47 1.106 . . . . 0.0 110.285 -179.972 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.464 ' C ' ' O ' ' A' ' 15' ' ' ARG . 8.2 tp10 -32.61 -59.03 0.33 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 110.242 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -144.41 38.48 1.3 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.512 1.132 . . . . 0.0 111.052 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.56 HG21 ' HB2' ' A' ' 35' ' ' ARG . 24.8 t -89.75 -6.23 10.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.512 0.772 . . . . 0.0 109.349 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.569 ' CB ' ' HA ' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -43.4 164.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.521 1.138 . . . . 0.0 110.337 179.956 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.576 ' HA ' HG22 ' A' ' 30' ' ' THR . 0.1 OUTLIER -145.41 167.48 22.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 0.0 111.014 179.966 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.665 ' HD1' HG23 ' A' ' 11' ' ' ILE . 0.9 OUTLIER -126.58 148.73 49.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.554 1.159 . . . . 0.0 110.995 -180.0 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.427 ' N ' ' O ' ' A' ' 10' ' ' GLU . 3.2 p -146.93 109.99 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.405 179.893 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.56 ' N ' ' O ' ' A' ' 28' ' ' THR . 2.3 t70 -79.42 157.75 27.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 109.309 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 36.7 t60 -40.17 -29.2 0.07 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.121 . . . . 0.0 109.558 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.658 ' C ' ' H ' ' A' ' 27' ' ' ARG . 0.6 OUTLIER -130.01 157.75 41.48 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 0.0 109.274 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 47.7 m -54.95 0.85 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.551 1.157 . . . . 0.0 110.46 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.658 ' H ' ' C ' ' A' ' 25' ' ' ASN . 2.8 mtp180 -55.47 -40.23 71.39 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.499 1.124 . . . . 0.0 110.398 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.56 ' O ' ' N ' ' A' ' 23' ' ' ASP . 0.9 OUTLIER -139.08 99.71 3.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.568 1.167 . . . . 0.0 110.382 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.485 ' HA ' ' O ' ' A' ' 21' ' ' PHE . 42.1 p -137.53 108.43 6.7 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.131 . . . . 0.0 110.404 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.64 ' N ' ' O ' ' A' ' 21' ' ' PHE . 0.9 OUTLIER -94.22 122.68 37.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.102 . . . . 0.0 110.356 -179.948 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.451 ' CG ' ' O ' ' A' ' 31' ' ' PHE . 32.0 p90 -117.55 120.09 37.0 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.511 1.132 . . . . 0.0 111.067 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.468 ' CB ' ' O ' ' A' ' 18' ' ' VAL . 0.1 OUTLIER -106.16 164.77 11.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 109.295 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.422 ' O ' HG13 ' A' ' 18' ' ' VAL . 0.5 OUTLIER -45.71 142.91 3.34 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.123 . . . . 0.0 109.369 179.966 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.89 55.25 3.83 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.468 1.773 . . . . 0.0 111.027 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.56 ' HB2' HG21 ' A' ' 18' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.526 0 O-C-N 124.461 1.101 . . . . 0.0 110.292 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . 0.448 ' CG ' ' N ' ' A' ' 3' ' ' GLU . 14.2 pt-20 . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 110.321 -0.251 . . . . 0.0 110.321 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . 0.467 ' HB2' ' CD1' ' A' ' 11' ' ' ILE . 0.0 OUTLIER -91.7 142.1 26.36 Favored Pre-proline 0 C--N 1.323 -0.551 0 O-C-N 124.572 1.17 . . . . 0.0 110.32 179.937 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo . . . . . 0 C--N 1.36 1.169 0 O-C-N 124.461 1.769 . . . . 0.0 110.941 -179.992 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 107.937 -1.135 . . . . 0.0 107.937 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -121.17 126.24 49.19 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.534 1.146 . . . . 0.0 110.28 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.592 HG23 ' HD1' ' A' ' 21' ' ' PHE . 2.7 mp -121.16 128.07 75.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 109.276 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.581 ' HB2' ' CE2' ' A' ' 20' ' ' TYR . 0.0 OUTLIER -138.44 140.92 39.48 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.522 1.139 . . . . 0.0 110.299 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.502 ' HB3' ' CB ' ' A' ' 19' ' ' ARG . 17.9 p90 -128.96 161.59 29.56 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.542 1.151 . . . . 0.0 111.003 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -141.34 -43.49 0.37 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 110.463 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.459 ' CB ' ' HB ' ' A' ' 18' ' ' VAL . 0.0 OUTLIER -95.49 -179.59 4.81 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.449 1.093 . . . . 0.0 110.28 179.971 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -39.36 -62.19 0.7 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.569 1.168 . . . . 0.0 110.275 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . 0.425 ' HA3' ' NH2' ' A' ' 19' ' ' ARG . . . -136.06 43.47 1.24 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.526 1.141 . . . . 0.0 111.063 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.479 ' O ' ' CG1' ' A' ' 18' ' ' VAL . 0.9 OUTLIER -88.52 -2.56 9.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.569 0.805 . . . . 0.0 109.279 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.502 ' CB ' ' HB3' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -36.01 125.48 0.74 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 110.305 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.659 ' HA ' HG22 ' A' ' 30' ' ' THR . 0.8 OUTLIER -116.8 163.4 16.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 111.021 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.688 ' O ' ' N ' ' A' ' 30' ' ' THR . 1.2 m-85 -131.24 142.65 50.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 110.969 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.483 HG23 ' CD1' ' A' ' 20' ' ' TYR . 65.6 t -145.24 102.61 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 0.0 109.293 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.513 ' N ' ' O ' ' A' ' 28' ' ' THR . 0.5 OUTLIER -75.35 152.2 38.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.446 1.092 . . . . 0.0 109.296 179.949 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 11.9 t60 -40.81 -27.35 0.05 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.442 1.088 . . . . 0.0 109.541 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.659 ' C ' ' H ' ' A' ' 27' ' ' ARG . 0.7 OUTLIER -128.6 159.35 35.83 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 109.307 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.6 t -54.78 1.72 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 110.401 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.659 ' H ' ' C ' ' A' ' 25' ' ' ASN . 1.5 mtt180 -53.66 -43.69 69.03 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.493 1.121 . . . . 0.0 110.28 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.546 HG22 ' O ' ' A' ' 28' ' ' THR . 0.8 OUTLIER -141.07 99.95 3.71 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.456 1.098 . . . . 0.0 110.434 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.532 ' O ' HG23 ' A' ' 29' ' ' THR . 6.6 t -133.22 103.28 5.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 110.354 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.688 ' N ' ' O ' ' A' ' 21' ' ' PHE . 0.9 OUTLIER -94.53 125.83 39.43 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 110.408 179.952 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 36.2 p90 -114.72 120.22 39.34 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.494 1.121 . . . . 0.0 110.942 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.433 ' HB2' ' O ' ' A' ' 18' ' ' VAL . 7.5 mmtt -107.5 164.39 12.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.451 1.094 . . . . 0.0 109.324 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.421 ' CB ' ' HD2' ' A' ' 35' ' ' ARG . 18.7 m-20 -47.15 145.19 3.67 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 109.238 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 52.13 2.98 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.563 1.822 . . . . 0.0 110.994 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.43 ' HB2' HG21 ' A' ' 18' ' ' VAL . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.444 1.09 . . . . 0.0 110.31 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 110.297 -0.26 . . . . 0.0 110.297 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -72.88 144.96 86.07 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 0.0 110.282 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo . . . . . 0 C--N 1.36 1.149 0 O-C-N 124.58 1.831 . . . . 0.0 110.949 -179.975 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . 0.602 ' CD1' ' OD1' ' A' ' 23' ' ' ASP . 39.1 m0 . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -138.6 120.65 15.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 110.363 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.712 HG23 ' HD1' ' A' ' 21' ' ' PHE . 6.6 mt -120.37 121.66 66.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.473 1.108 . . . . 0.0 109.351 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.411 ' HB3' ' CE1' ' A' ' 20' ' ' TYR . 0.3 OUTLIER -118.47 140.0 50.55 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.504 1.128 . . . . 0.0 110.271 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.612 ' CD1' ' N ' ' A' ' 13' ' ' TYR . 0.3 OUTLIER -120.34 154.03 35.62 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.508 1.13 . . . . 0.0 111.027 179.954 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.671 HG23 ' H ' ' A' ' 15' ' ' ARG . 0.0 OUTLIER -141.08 -63.95 0.46 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.473 1.108 . . . . 0.0 110.406 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.671 ' H ' HG23 ' A' ' 14' ' ' THR . 0.4 OUTLIER -95.53 -179.94 4.93 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.503 1.127 . . . . 0.0 110.302 -179.956 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.439 ' C ' ' O ' ' A' ' 15' ' ' ARG . 1.4 pp20? -35.76 -55.07 0.72 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.508 1.13 . . . . 0.0 110.33 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -146.12 36.43 1.3 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.49 1.118 . . . . 0.0 111.052 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.654 HG21 ' HB3' ' A' ' 35' ' ' ARG . 4.3 t -89.54 -5.83 10.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.521 0.777 . . . . 0.0 109.282 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.589 ' CB ' ' HA ' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -47.58 163.1 0.05 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.572 1.17 . . . . 0.0 110.323 -179.956 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.614 ' HA ' HG22 ' A' ' 30' ' ' THR . 0.1 OUTLIER -145.17 167.66 22.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.44 1.088 . . . . 0.0 111.053 -179.971 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.712 ' HD1' HG23 ' A' ' 11' ' ' ILE . 0.8 OUTLIER -126.26 147.7 49.64 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.396 1.06 . . . . 0.0 111.024 -179.954 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 92.0 t -145.98 107.51 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.448 1.092 . . . . 0.0 109.291 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.602 ' OD1' ' CD1' ' A' ' 9' ' ' TRP . 1.8 t70 -74.96 157.22 35.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.11 . . . . 0.0 109.323 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . 0.408 ' C ' ' O ' ' A' ' 23' ' ' ASP . 13.3 t-160 -39.27 -29.5 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.556 1.16 . . . . 0.0 109.555 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.669 ' C ' ' H ' ' A' ' 27' ' ' ARG . 1.0 OUTLIER -129.91 157.7 41.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 0.0 109.313 -179.92 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.44 ' HA ' ' CG2' ' A' ' 29' ' ' THR . 15.0 t -54.7 0.92 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.494 1.121 . . . . 0.0 110.443 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.669 ' H ' ' C ' ' A' ' 25' ' ' ASN . 0.7 OUTLIER -55.4 -39.92 70.77 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.553 1.158 . . . . 0.0 110.319 179.966 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.528 ' O ' ' N ' ' A' ' 23' ' ' ASP . 1.1 m -139.01 100.79 4.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 110.394 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.495 ' HA ' ' O ' ' A' ' 21' ' ' PHE . 66.2 p -136.38 109.8 7.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 0.0 110.434 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.625 ' N ' ' O ' ' A' ' 21' ' ' PHE . 0.9 OUTLIER -94.51 124.44 38.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 110.384 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -116.99 128.02 54.77 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.558 1.161 . . . . 0.0 110.992 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.511 ' CB ' ' O ' ' A' ' 18' ' ' VAL . 0.1 OUTLIER -106.16 165.16 11.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 109.255 -179.94 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -46.0 165.66 0.18 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.285 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -74.87 5.37 3.96 Favored 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.451 1.764 . . . . 0.0 111.055 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.654 ' HB3' HG21 ' A' ' 18' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.544 1.152 . . . . 0.0 110.323 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . 0.457 ' CG ' ' N ' ' A' ' 3' ' ' GLU . 15.9 pt-20 . . . . . 0 N--CA 1.454 -0.275 0 N-CA-C 110.316 -0.253 . . . . 0.0 110.316 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . 0.457 ' N ' ' CG ' ' A' ' 2' ' ' GLU . 0.1 OUTLIER -90.19 146.86 35.68 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 110.298 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.166 0 O-C-N 124.51 1.795 . . . . 0.0 110.998 -179.977 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . 0.448 ' NE1' ' OD2' ' A' ' 23' ' ' ASP . 8.7 m-90 . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 108.019 -1.104 . . . . 0.0 108.019 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.413 ' O ' ' N ' ' A' ' 22' ' ' VAL . 0.9 OUTLIER -139.62 120.99 14.98 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 110.327 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.708 HG23 ' HD1' ' A' ' 21' ' ' PHE . 5.6 mt -120.1 121.63 66.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.104 . . . . 0.0 109.28 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.433 ' HB2' ' CE1' ' A' ' 20' ' ' TYR . 15.6 mmm180 -115.54 134.33 55.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.527 1.142 . . . . 0.0 110.327 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.532 ' HA ' ' HA ' ' A' ' 19' ' ' ARG . 6.7 p90 -114.5 150.47 34.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.422 1.076 . . . . 0.0 111.038 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.528 ' HB ' HG12 ' A' ' 18' ' ' VAL . 7.5 m -140.04 -89.49 0.18 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 110.417 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.479 ' CD ' ' O ' ' A' ' 35' ' ' ARG . 0.0 OUTLIER -69.55 -178.79 1.52 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.503 1.127 . . . . 0.0 110.297 179.942 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.474 ' C ' ' O ' ' A' ' 15' ' ' ARG . 3.0 pt-20 -32.74 -61.14 0.29 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.575 1.172 . . . . 0.0 110.299 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -144.36 41.41 1.1 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.453 1.096 . . . . 0.0 111.05 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.813 HG21 ' CB ' ' A' ' 35' ' ' ARG . 0.5 OUTLIER -89.25 -6.15 10.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.553 0.796 . . . . 0.0 109.323 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.532 ' HA ' ' HA ' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -41.7 162.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 110.277 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.543 ' HA ' HG22 ' A' ' 30' ' ' THR . 0.1 OUTLIER -148.4 166.7 27.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.437 1.086 . . . . 0.0 111.027 179.958 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.708 ' HD1' HG23 ' A' ' 11' ' ' ILE . 0.8 OUTLIER -124.5 147.88 48.08 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.111 . . . . 0.0 111.022 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.413 ' N ' ' O ' ' A' ' 10' ' ' GLU . 71.6 t -146.69 106.81 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.13 . . . . 0.0 109.311 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.558 ' N ' ' O ' ' A' ' 28' ' ' THR . 3.5 t70 -74.83 156.86 36.02 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 0.0 109.301 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . 0.402 ' C ' ' O ' ' A' ' 23' ' ' ASP . 51.8 t60 -39.61 -28.75 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.54 1.15 . . . . 0.0 109.583 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.665 ' C ' ' H ' ' A' ' 27' ' ' ARG . 0.4 OUTLIER -129.44 156.91 43.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.284 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 2.6 t -55.31 1.0 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 110.34 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.665 ' H ' ' C ' ' A' ' 25' ' ' ASN . 16.0 ptp180 -56.51 -39.36 73.18 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 110.358 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.558 ' O ' ' N ' ' A' ' 23' ' ' ASP . 0.9 OUTLIER -138.08 100.32 4.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.585 1.178 . . . . 0.0 110.393 179.958 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.496 ' HA ' ' O ' ' A' ' 21' ' ' PHE . 1.0 OUTLIER -137.12 108.98 7.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.569 1.168 . . . . 0.0 110.405 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.624 ' N ' ' O ' ' A' ' 21' ' ' PHE . 0.9 OUTLIER -94.52 123.38 37.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.439 1.087 . . . . 0.0 110.383 -179.953 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 34.8 p90 -118.05 129.95 55.87 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.122 . . . . 0.0 111.07 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.424 ' CB ' ' O ' ' A' ' 18' ' ' VAL . 0.0 OUTLIER -106.18 164.51 11.94 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.502 1.126 . . . . 0.0 109.315 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.516 ' C ' ' H ' ' A' ' 35' ' ' ARG . 4.7 m-20 -46.03 164.12 0.21 Allowed Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 109.299 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 30.07 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.484 1.781 . . . . 0.0 111.03 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.813 ' CB ' HG21 ' A' ' 18' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 110.268 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . 0.443 ' CG ' ' N ' ' A' ' 3' ' ' GLU . 15.6 pt-20 . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 110.338 -0.245 . . . . 0.0 110.338 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . 0.443 ' N ' ' CG ' ' A' ' 2' ' ' GLU . 0.5 OUTLIER -94.87 139.33 22.12 Favored Pre-proline 0 C--N 1.326 -0.424 0 O-C-N 124.551 1.157 . . . . 0.0 110.262 -179.952 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 3' ' ' GLU . 18.2 Cg_endo . . . . . 0 C--N 1.359 1.131 0 O-C-N 124.56 1.821 . . . . 0.0 111.009 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . 0.596 ' CD1' ' CG ' ' A' ' 23' ' ' ASP . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 107.965 -1.124 . . . . 0.0 107.965 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -117.22 125.12 50.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.45 1.094 . . . . 0.0 110.305 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.678 HG23 ' HD1' ' A' ' 21' ' ' PHE . 3.7 mt -120.43 121.45 65.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.543 1.152 . . . . 0.0 109.28 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.442 ' HB3' ' CE1' ' A' ' 20' ' ' TYR . 13.3 tpp180 -115.94 139.03 50.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.442 1.089 . . . . 0.0 110.355 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.659 ' CD1' ' N ' ' A' ' 13' ' ' TYR . 0.1 OUTLIER -121.13 152.91 38.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.409 1.068 . . . . 0.0 110.986 -179.944 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.711 HG23 ' H ' ' A' ' 15' ' ' ARG . 0.0 OUTLIER -140.58 -66.53 0.43 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.138 . . . . 0.0 110.389 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.711 ' H ' HG23 ' A' ' 14' ' ' THR . 0.8 OUTLIER -92.77 179.3 5.52 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.429 1.08 . . . . 0.0 110.353 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.459 ' C ' ' O ' ' A' ' 15' ' ' ARG . 33.4 tp10 -34.18 -57.59 0.48 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.468 1.105 . . . . 0.0 110.245 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -144.29 36.45 1.47 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.519 1.137 . . . . 0.0 110.999 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.795 HG21 ' CB ' ' A' ' 35' ' ' ARG . 14.3 t -89.34 -4.43 10.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.437 0.728 . . . . 0.0 109.336 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.57 ' CB ' ' HA ' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -48.58 166.66 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 110.319 179.957 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.565 ' HA ' HG22 ' A' ' 30' ' ' THR . 0.1 OUTLIER -147.2 167.21 24.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.425 1.078 . . . . 0.0 111.051 179.973 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.678 ' HD1' HG23 ' A' ' 11' ' ' ILE . 0.6 OUTLIER -127.5 146.94 50.33 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.575 1.172 . . . . 0.0 110.998 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.414 ' O ' HG13 ' A' ' 22' ' ' VAL . 7.6 p -145.68 109.75 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 109.362 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.596 ' CG ' ' CD1' ' A' ' 9' ' ' TRP . 0.1 OUTLIER -79.4 155.18 28.49 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.485 1.116 . . . . 0.0 109.276 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . 0.401 ' C ' ' O ' ' A' ' 23' ' ' ASP . 7.9 t-160 -39.81 -28.7 0.05 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.441 1.088 . . . . 0.0 109.549 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.673 ' C ' ' H ' ' A' ' 27' ' ' ARG . 2.5 m-20 -129.28 158.17 39.82 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.523 1.14 . . . . 0.0 109.259 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 8.2 t -54.59 1.32 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.451 1.094 . . . . 0.0 110.437 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.673 ' H ' ' C ' ' A' ' 25' ' ' ASN . 3.0 mtp180 -54.95 -42.58 72.49 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.449 1.093 . . . . 0.0 110.295 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.567 ' O ' ' N ' ' A' ' 23' ' ' ASP . 0.8 OUTLIER -137.71 100.67 4.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 110.359 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.446 ' HA ' ' O ' ' A' ' 21' ' ' PHE . 8.9 m -135.18 104.41 5.89 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.475 1.11 . . . . 0.0 110.438 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.644 ' N ' ' O ' ' A' ' 21' ' ' PHE . 1.0 OUTLIER -94.12 122.99 37.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.141 . . . . 0.0 110.427 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -117.5 120.55 38.45 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.488 1.117 . . . . 0.0 110.982 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.454 ' HB2' ' O ' ' A' ' 18' ' ' VAL . 8.3 mmmt -105.78 163.78 12.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.312 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.519 ' O ' HG13 ' A' ' 18' ' ' VAL . 0.8 OUTLIER -46.94 147.2 2.37 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.604 1.19 . . . . 0.0 109.318 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 52.38 3.03 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.436 1.756 . . . . 0.0 110.983 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.795 ' CB ' HG21 ' A' ' 18' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 110.335 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . 0.491 ' HG2' HD13 ' A' ' 11' ' ' ILE . 12.6 pt-20 . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 110.324 -0.25 . . . . 0.0 110.324 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . 0.451 ' N ' ' CG ' ' A' ' 2' ' ' GLU . 0.1 OUTLIER -91.55 148.18 36.86 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 110.308 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.132 0 O-C-N 124.511 1.795 . . . . 0.0 110.976 179.97 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . 0.766 ' CZ3' HG21 ' A' ' 28' ' ' THR . 16.7 m0 . . . . . 0 N--CA 1.452 -0.336 0 N-CA-C 108.048 -1.093 . . . . 0.0 108.048 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -142.32 120.25 12.02 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.443 1.089 . . . . 0.0 110.315 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.748 HG23 ' HD1' ' A' ' 21' ' ' PHE . 5.3 mt -120.61 121.79 66.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 109.278 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.61 ' HB2' ' CE2' ' A' ' 20' ' ' TYR . 19.6 mmt180 -117.5 132.57 56.52 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 110.311 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.531 ' HA ' ' HA ' ' A' ' 19' ' ' ARG . 9.6 p90 -115.1 148.03 39.46 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 110.977 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.481 HG22 ' N ' ' A' ' 15' ' ' ARG . 5.6 m -139.69 -95.16 0.16 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.14 . . . . 0.0 110.356 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.487 ' O ' ' C ' ' A' ' 16' ' ' GLU . 0.0 OUTLIER -58.7 -179.5 0.06 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.482 1.114 . . . . 0.0 110.291 -179.953 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.487 ' C ' ' O ' ' A' ' 15' ' ' ARG . 34.7 tt0 -32.09 -61.01 0.26 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.13 . . . . 0.0 110.293 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -148.43 42.31 0.85 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.439 1.087 . . . . 0.0 111.019 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.524 ' O ' ' CB ' ' A' ' 32' ' ' LYS . 0.3 OUTLIER -88.98 -4.54 10.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 O-C-N 124.462 0.742 . . . . 0.0 109.32 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.531 ' HA ' ' HA ' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -38.5 158.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 110.27 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.61 ' CE2' ' HB2' ' A' ' 12' ' ' ARG . 1.5 p90 -142.99 162.05 36.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.113 . . . . 0.0 110.978 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.748 ' HD1' HG23 ' A' ' 11' ' ' ILE . 0.6 OUTLIER -127.39 143.65 51.18 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.508 1.13 . . . . 0.0 110.974 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.478 HG22 HG23 ' A' ' 29' ' ' THR . 63.9 t -145.44 107.0 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.533 1.145 . . . . 0.0 109.309 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.606 ' OD1' ' CD1' ' A' ' 9' ' ' TRP . 58.5 t0 -77.57 153.29 33.44 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.555 1.159 . . . . 0.0 109.297 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . 0.465 ' N ' ' OD1' ' A' ' 23' ' ' ASP . 72.8 t60 -39.79 -28.21 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.155 . . . . 0.0 109.649 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.662 ' C ' ' H ' ' A' ' 27' ' ' ARG . 4.0 m-20 -128.94 158.88 37.58 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.571 1.17 . . . . 0.0 109.241 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 5.2 t -55.0 1.65 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 110.347 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.662 ' H ' ' C ' ' A' ' 25' ' ' ASN . 0.0 OUTLIER -54.43 -42.97 71.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 110.309 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.766 HG21 ' CZ3' ' A' ' 9' ' ' TRP . 0.8 OUTLIER -139.23 100.51 4.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 0.0 110.384 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.478 HG23 HG22 ' A' ' 22' ' ' VAL . 16.9 m -134.53 105.4 6.51 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.464 1.103 . . . . 0.0 110.436 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.651 ' N ' ' O ' ' A' ' 21' ' ' PHE . 0.9 OUTLIER -93.0 127.02 38.37 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.507 1.129 . . . . 0.0 110.394 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -116.16 118.89 34.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.115 . . . . 0.0 110.968 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.524 ' CB ' ' O ' ' A' ' 18' ' ' VAL . 0.0 OUTLIER -107.31 164.71 11.95 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.484 1.115 . . . . 0.0 109.229 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -46.92 160.69 0.32 Allowed Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.549 1.156 . . . . 0.0 109.314 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 7.24 2.97 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.463 1.77 . . . . 0.0 110.97 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 110.276 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 14.7 pt-20 . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 110.259 -0.274 . . . . 0.0 110.259 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . 0.475 ' HB2' ' CD1' ' A' ' 11' ' ' ILE . 0.0 OUTLIER -103.67 156.2 35.89 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 110.311 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.359 1.13 0 O-C-N 124.498 1.788 . . . . 0.0 111.0 179.98 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . 0.55 ' CE3' ' OD2' ' A' ' 23' ' ' ASP . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 107.958 -1.127 . . . . 0.0 107.958 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.409 ' O ' ' HA ' ' A' ' 21' ' ' PHE . 0.4 OUTLIER -107.02 122.02 45.63 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.541 1.151 . . . . 0.0 110.336 179.929 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.947 HG23 ' CD1' ' A' ' 21' ' ' PHE . 19.6 mt -119.9 135.12 61.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.402 1.063 . . . . 0.0 109.326 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.583 ' HB3' ' CE2' ' A' ' 20' ' ' TYR . 5.2 tpt180 -138.1 123.01 18.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 110.294 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.563 ' CG ' ' HB3' ' A' ' 19' ' ' ARG . 3.2 m-85 -97.98 150.77 21.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.452 1.095 . . . . 0.0 110.978 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.498 ' OG1' ' N ' ' A' ' 15' ' ' ARG . 51.3 p -139.23 -103.71 0.17 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.107 . . . . 0.0 110.41 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.498 ' N ' ' OG1' ' A' ' 14' ' ' THR . 0.0 OUTLIER -61.85 -179.45 0.2 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 110.345 179.921 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.492 ' C ' ' O ' ' A' ' 15' ' ' ARG . 4.6 pt-20 -30.97 -59.98 0.21 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.551 1.157 . . . . 0.0 110.263 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -144.25 40.17 1.19 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.458 1.099 . . . . 0.0 110.995 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.833 HG21 ' HB2' ' A' ' 35' ' ' ARG . 2.8 t -89.42 -4.26 10.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.556 0.798 . . . . 0.0 109.34 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.576 ' HD3' ' CE1' ' A' ' 21' ' ' PHE . 4.0 ppt_? -36.91 159.48 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.607 1.192 . . . . 0.0 110.253 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.6 ' CD1' ' C ' ' A' ' 20' ' ' TYR . 0.4 OUTLIER -149.36 155.91 41.23 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.524 1.14 . . . . 0.0 110.988 -179.973 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.947 ' CD1' HG23 ' A' ' 11' ' ' ILE . 0.8 OUTLIER -128.95 148.19 50.91 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.502 1.126 . . . . 0.0 110.971 -179.937 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 94.8 t -146.84 105.55 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.587 1.18 . . . . 0.0 109.307 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.568 ' N ' ' O ' ' A' ' 28' ' ' THR . 6.5 t0 -75.28 154.6 37.33 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.606 1.192 . . . . 0.0 109.313 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 5.3 t-80 -40.19 -28.05 0.05 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 109.602 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.654 ' C ' ' H ' ' A' ' 27' ' ' ARG . 45.6 m-20 -129.02 157.94 40.29 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 0.0 109.281 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 8.9 t -55.35 1.6 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 110.393 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.654 ' H ' ' C ' ' A' ' 25' ' ' ASN . 2.7 ptm85 -54.99 -42.46 72.49 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.454 1.096 . . . . 0.0 110.28 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.568 ' O ' ' N ' ' A' ' 23' ' ' ASP . 0.8 OUTLIER -139.19 100.02 3.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 110.39 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.439 ' HA ' ' O ' ' A' ' 21' ' ' PHE . 0.0 OUTLIER -135.59 104.52 5.83 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 0.0 110.409 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.641 ' N ' ' O ' ' A' ' 21' ' ' PHE . 1.0 OUTLIER -94.15 123.37 37.49 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.117 . . . . 0.0 110.428 180.0 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.418 ' O ' ' CG ' ' A' ' 31' ' ' PHE . 34.5 p90 -118.93 119.72 35.15 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.552 1.158 . . . . 0.0 110.982 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.459 ' CB ' ' O ' ' A' ' 18' ' ' VAL . 0.0 OUTLIER -107.8 164.27 12.4 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.581 1.175 . . . . 0.0 109.299 179.975 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -47.0 146.26 2.86 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.555 1.159 . . . . 0.0 109.314 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 47.32 1.71 Allowed 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.473 1.775 . . . . 0.0 110.983 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.833 ' HB2' HG21 ' A' ' 18' ' ' VAL . 0.3 OUTLIER . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.468 1.105 . . . . 0.0 110.308 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . 0.441 ' CG ' ' N ' ' A' ' 3' ' ' GLU . 11.3 pt-20 . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 110.335 -0.246 . . . . 0.0 110.335 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . 0.441 ' N ' ' CG ' ' A' ' 2' ' ' GLU . 0.0 OUTLIER -93.6 142.67 25.45 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.456 1.097 . . . . 0.0 110.403 179.947 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.361 1.202 0 O-C-N 124.462 1.77 . . . . 0.0 111.003 -179.955 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . 0.441 ' CD1' ' N ' ' A' ' 9' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 108.01 -1.107 . . . . 0.0 108.01 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -124.42 125.53 44.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 110.27 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.623 HG23 ' HD1' ' A' ' 21' ' ' PHE . 3.1 mt -121.44 123.99 70.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.444 1.09 . . . . 0.0 109.353 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.435 ' O ' ' N ' ' A' ' 20' ' ' TYR . 0.3 OUTLIER -117.6 139.18 51.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.451 1.095 . . . . 0.0 110.31 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.546 ' HA ' ' HA ' ' A' ' 19' ' ' ARG . 3.6 p90 -113.99 151.26 32.65 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.482 1.114 . . . . 0.0 110.997 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.738 HG21 ' OH ' ' A' ' 20' ' ' TYR . 11.2 p -139.86 -62.95 0.51 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 110.431 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.502 ' N ' ' OG1' ' A' ' 14' ' ' THR . 0.0 OUTLIER -98.2 179.49 4.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.146 . . . . 0.0 110.351 179.968 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.445 ' C ' ' O ' ' A' ' 15' ' ' ARG . 0.0 OUTLIER -34.98 -52.39 0.55 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 110.313 179.968 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -149.72 36.32 0.99 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.526 1.141 . . . . 0.0 110.966 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.699 HG21 ' CB ' ' A' ' 35' ' ' ARG . 4.7 t -89.51 -7.4 10.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.539 0.787 . . . . 0.0 109.292 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.546 ' HA ' ' HA ' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -39.31 154.76 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.515 1.134 . . . . 0.0 110.201 -179.949 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.738 ' OH ' HG21 ' A' ' 14' ' ' THR . 0.1 OUTLIER -130.18 167.41 18.44 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.545 1.153 . . . . 0.0 110.955 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.642 ' O ' ' N ' ' A' ' 30' ' ' THR . 1.3 m-85 -130.87 144.76 51.7 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.495 1.122 . . . . 0.0 111.002 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 91.9 t -146.51 108.58 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.458 1.099 . . . . 0.0 109.331 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.495 ' N ' ' O ' ' A' ' 28' ' ' THR . 3.8 t0 -74.77 159.05 32.48 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.568 1.168 . . . . 0.0 109.29 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . 0.403 ' C ' ' O ' ' A' ' 23' ' ' ASP . 57.3 t60 -39.8 -29.48 0.06 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.476 1.11 . . . . 0.0 109.631 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.669 ' C ' ' H ' ' A' ' 27' ' ' ARG . 3.2 m120 -130.35 157.57 42.21 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.472 1.107 . . . . 0.0 109.247 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 8.8 t -54.91 1.12 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.56 1.162 . . . . 0.0 110.418 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.669 ' H ' ' C ' ' A' ' 25' ' ' ASN . 0.0 OUTLIER -55.51 -40.82 72.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 110.294 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.526 HG22 ' O ' ' A' ' 28' ' ' THR . 0.8 OUTLIER -137.57 100.75 4.3 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.503 1.127 . . . . 0.0 110.416 -179.967 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.506 ' HA ' ' O ' ' A' ' 21' ' ' PHE . 1.5 t -137.3 116.27 12.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 110.463 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.642 ' N ' ' O ' ' A' ' 21' ' ' PHE . 0.9 OUTLIER -95.68 125.41 40.24 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.456 1.098 . . . . 0.0 110.44 -179.929 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.475 ' O ' ' CD2' ' A' ' 31' ' ' PHE . 49.0 p90 -119.44 118.23 30.56 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.561 1.163 . . . . 0.0 111.064 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -108.22 162.48 14.04 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.436 1.085 . . . . 0.0 109.291 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -49.37 153.9 1.68 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 109.234 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.13 53.84 3.52 Favored 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.549 1.815 . . . . 0.0 111.005 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.699 ' CB ' HG21 ' A' ' 18' ' ' VAL . 8.9 mmt180 . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.12 . . . . 0.0 110.334 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.454 -0.245 0 N-CA-C 110.323 -0.251 . . . . 0.0 110.323 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . 0.416 ' HA ' ' HD3' ' A' ' 4' ' ' PRO . 0.0 OUTLIER -85.25 141.38 37.11 Favored Pre-proline 0 C--N 1.326 -0.433 0 O-C-N 124.471 1.107 . . . . 0.0 110.3 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' A' ' 3' ' ' GLU . 18.2 Cg_endo . . . . . 0 C--N 1.359 1.099 0 O-C-N 124.465 1.771 . . . . 0.0 110.983 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . 0.466 ' CD1' ' N ' ' A' ' 9' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.271 0 N-CA-C 108.007 -1.108 . . . . 0.0 108.007 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.483 ' HB3' ' CG1' ' A' ' 22' ' ' VAL . 1.1 tt0 -119.55 120.51 36.96 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.507 1.13 . . . . 0.0 110.253 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.654 HG23 ' HD1' ' A' ' 21' ' ' PHE . 3.1 mt -120.67 131.04 73.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.512 1.133 . . . . 0.0 109.312 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.594 ' HB3' ' CE2' ' A' ' 20' ' ' TYR . 0.0 OUTLIER -137.14 121.89 18.66 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.502 1.126 . . . . 0.0 110.227 -179.95 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.554 ' HA ' ' HA ' ' A' ' 19' ' ' ARG . 3.5 m-30 -92.78 151.1 20.21 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.521 1.138 . . . . 0.0 110.98 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 94.9 m -137.83 -109.23 0.18 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 110.373 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.47 ' CB ' ' HB ' ' A' ' 18' ' ' VAL . 0.2 OUTLIER -57.01 179.71 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.527 1.142 . . . . 0.0 110.296 180.0 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.463 ' C ' ' O ' ' A' ' 15' ' ' ARG . 4.3 pt-20 -33.73 -57.05 0.45 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 110.254 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -142.16 39.05 1.41 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.491 1.12 . . . . 0.0 111.019 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.689 HG21 ' HB2' ' A' ' 35' ' ' ARG . 2.1 t -89.88 -4.9 10.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.466 0.745 . . . . 0.0 109.26 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.554 ' HA ' ' HA ' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -37.65 161.22 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 110.323 179.962 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.685 ' HA ' HG22 ' A' ' 30' ' ' THR . 2.1 p90 -152.62 164.62 37.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 110.981 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.654 ' HD1' HG23 ' A' ' 11' ' ' ILE . 1.0 OUTLIER -139.48 148.32 42.54 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.561 1.163 . . . . 0.0 111.047 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.483 ' CG1' ' HB3' ' A' ' 10' ' ' GLU . 7.5 p -145.41 112.42 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.243 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.522 ' N ' ' O ' ' A' ' 28' ' ' THR . 7.4 t0 -79.95 156.15 27.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.12 . . . . 0.0 109.301 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 13.3 t-160 -40.57 -28.4 0.07 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 109.601 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.668 ' C ' ' H ' ' A' ' 27' ' ' ARG . 12.0 m120 -129.61 157.93 40.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.135 . . . . 0.0 109.267 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 10.0 t -55.14 1.32 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.491 1.119 . . . . 0.0 110.454 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.668 ' H ' ' C ' ' A' ' 25' ' ' ASN . 9.5 ptm180 -55.33 -42.63 74.05 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.431 1.082 . . . . 0.0 110.344 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.527 HG22 ' O ' ' A' ' 28' ' ' THR . 0.8 OUTLIER -137.87 99.83 4.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.12 . . . . 0.0 110.381 179.964 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.503 ' O ' HG23 ' A' ' 29' ' ' THR . 12.7 t -137.27 111.15 8.22 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.546 1.154 . . . . 0.0 110.391 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.685 HG22 ' HA ' ' A' ' 20' ' ' TYR . 0.9 OUTLIER -93.81 125.86 38.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 110.412 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -115.24 122.99 47.69 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.432 1.082 . . . . 0.0 111.025 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.505 ' CB ' ' O ' ' A' ' 18' ' ' VAL . 0.0 OUTLIER -106.7 164.53 12.01 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.474 1.109 . . . . 0.0 109.254 -179.971 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -46.76 168.67 0.12 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 109.294 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.06 3.68 5.43 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.477 1.777 . . . . 0.0 110.972 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.689 ' HB2' HG21 ' A' ' 18' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.51 1.131 . . . . 0.0 110.266 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . 0.452 ' CG ' ' N ' ' A' ' 3' ' ' GLU . 11.6 pt-20 . . . . . 0 N--CA 1.454 -0.27 0 N-CA-C 110.274 -0.269 . . . . 0.0 110.274 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . 0.543 ' H ' HD13 ' A' ' 11' ' ' ILE . 0.0 OUTLIER -88.96 171.73 8.61 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.539 1.149 . . . . 0.0 110.273 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.168 0 O-C-N 124.485 1.781 . . . . 0.0 111.049 179.936 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . 0.408 ' HA ' ' HA ' ' A' ' 23' ' ' ASP . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.254 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -105.35 126.63 52.32 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.555 1.159 . . . . 0.0 110.306 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.748 HG23 ' CD1' ' A' ' 21' ' ' PHE . 6.9 mt -120.33 122.06 67.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 0.0 109.264 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.599 ' HB2' ' CE2' ' A' ' 20' ' ' TYR . 7.0 mmm180 -120.2 140.12 51.62 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.452 1.095 . . . . 0.0 110.233 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.538 ' HA ' ' HA ' ' A' ' 19' ' ' ARG . 2.5 p90 -114.51 151.7 32.9 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.456 1.098 . . . . 0.0 111.032 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.474 ' HB ' HG12 ' A' ' 18' ' ' VAL . 2.2 m -138.5 -79.13 0.35 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 110.377 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.49 ' O ' ' C ' ' A' ' 16' ' ' GLU . 0.0 OUTLIER -83.89 -179.16 7.2 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.48 1.113 . . . . 0.0 110.347 179.966 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.49 ' C ' ' O ' ' A' ' 15' ' ' ARG . 11.5 tp10 -30.69 -59.48 0.2 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.409 1.068 . . . . 0.0 110.292 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -147.1 39.48 1.06 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.456 1.097 . . . . 0.0 111.023 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.864 HG21 ' HB2' ' A' ' 35' ' ' ARG . 0.5 OUTLIER -89.63 -4.73 10.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.506 0.768 . . . . 0.0 109.239 -179.953 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.538 ' HA ' ' HA ' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -38.07 157.86 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.456 1.098 . . . . 0.0 110.31 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.628 ' HA ' HG22 ' A' ' 30' ' ' THR . 1.3 p90 -139.26 161.57 37.1 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.539 1.149 . . . . 0.0 111.086 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.748 ' CD1' HG23 ' A' ' 11' ' ' ILE . 1.1 m-85 -127.64 143.81 51.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.411 1.07 . . . . 0.0 111.012 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.447 HG13 HG22 ' A' ' 29' ' ' THR . 94.2 t -145.48 107.03 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.533 1.146 . . . . 0.0 109.259 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.572 ' N ' ' O ' ' A' ' 28' ' ' THR . 10.1 t0 -78.45 153.45 31.45 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 0.0 109.367 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 15.4 t-160 -40.24 -28.2 0.06 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.611 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.657 ' C ' ' H ' ' A' ' 27' ' ' ARG . 24.7 m-80 -128.95 159.31 36.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.455 1.097 . . . . 0.0 109.279 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 13.6 t -54.78 1.52 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.47 1.106 . . . . 0.0 110.437 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.657 ' H ' ' C ' ' A' ' 25' ' ' ASN . 1.4 mtt180 -54.2 -43.64 70.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 110.273 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.576 HG22 ' O ' ' A' ' 28' ' ' THR . 0.7 OUTLIER -138.93 100.0 3.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.578 1.174 . . . . 0.0 110.396 179.928 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.447 HG22 HG13 ' A' ' 22' ' ' VAL . 6.2 p -134.28 104.43 6.16 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.467 1.104 . . . . 0.0 110.445 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.659 ' N ' ' O ' ' A' ' 21' ' ' PHE . 0.9 OUTLIER -93.42 126.55 38.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 110.39 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 20.6 t80 -116.53 119.02 34.26 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.581 1.176 . . . . 0.0 111.058 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.528 ' CB ' ' O ' ' A' ' 18' ' ' VAL . 0.0 OUTLIER -107.41 164.13 12.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.328 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -47.56 157.24 0.58 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.152 . . . . 0.0 109.268 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 53.05 3.21 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.503 1.791 . . . . 0.0 110.996 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.864 ' HB2' HG21 ' A' ' 18' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.535 0 O-C-N 124.533 1.146 . . . . 0.0 110.344 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.349 -0.611 . . . . 0.0 109.349 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -97.38 -77.9 0.49 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.493 1.12 . . . . 0.0 110.27 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.572 ' HB3' ' CD ' ' A' ' 6' ' ' PRO . 0.0 OUTLIER -73.0 143.35 83.91 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.544 1.153 . . . . 0.0 110.285 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.422 ' O ' ' C ' ' A' ' 5' ' ' LEU . 18.3 Cg_endo -75.01 56.42 4.25 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.532 1.806 . . . . 0.0 111.001 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.618 ' N ' ' HD3' ' A' ' 6' ' ' PRO . 7.2 mp 37.63 54.18 3.49 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.458 1.099 . . . . 0.0 109.297 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.618 ' HD3' ' N ' ' A' ' 5' ' ' LEU . 18.5 Cg_endo -74.93 -160.66 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.419 1.747 . . . . 0.0 110.989 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.503 ' CG ' ' N ' ' A' ' 8' ' ' GLY . 7.9 pt-20 -85.42 -47.12 10.27 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.51 1.131 . . . . 0.0 110.319 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.503 ' N ' ' CG ' ' A' ' 7' ' ' GLU . . . -45.39 -63.4 2.73 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.511 1.132 . . . . 0.0 110.99 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . 0.451 ' CD1' ' HG2' ' A' ' 3' ' ' GLU . 0.0 OUTLIER -132.01 159.36 39.0 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.039 -1.097 . . . . 0.0 108.039 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.427 ' O ' ' N ' ' A' ' 22' ' ' VAL . 0.6 OUTLIER -126.25 128.17 46.76 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.485 1.116 . . . . 0.0 110.353 179.966 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.665 HG23 ' HD1' ' A' ' 21' ' ' PHE . 4.4 mt -120.76 120.77 63.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.49 1.119 . . . . 0.0 109.335 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.439 ' HB2' ' CD1' ' A' ' 20' ' ' TYR . 18.9 mmm-85 -113.97 136.37 52.98 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.575 1.172 . . . . 0.0 110.304 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.569 ' HA ' ' CB ' ' A' ' 19' ' ' ARG . 3.9 p90 -114.97 152.14 32.9 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.568 1.167 . . . . 0.0 111.006 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.904 HG21 ' CB ' ' A' ' 36' ' ' ASN . 1.8 m -139.97 -75.61 0.34 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.569 1.168 . . . . 0.0 110.418 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.464 ' O ' ' C ' ' A' ' 16' ' ' GLU . 0.0 OUTLIER -86.67 -179.88 6.66 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.47 1.106 . . . . 0.0 110.285 -179.972 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.464 ' C ' ' O ' ' A' ' 15' ' ' ARG . 8.2 tp10 -32.61 -59.03 0.33 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 110.242 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -144.41 38.48 1.3 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.512 1.132 . . . . 0.0 111.052 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.56 HG21 ' HB2' ' A' ' 35' ' ' ARG . 24.8 t -89.75 -6.23 10.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.512 0.772 . . . . 0.0 109.349 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.569 ' CB ' ' HA ' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -43.4 164.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.521 1.138 . . . . 0.0 110.337 179.956 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.576 ' HA ' HG22 ' A' ' 30' ' ' THR . 0.1 OUTLIER -145.41 167.48 22.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 0.0 111.014 179.966 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.665 ' HD1' HG23 ' A' ' 11' ' ' ILE . 0.9 OUTLIER -126.58 148.73 49.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.554 1.159 . . . . 0.0 110.995 -180.0 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.427 ' N ' ' O ' ' A' ' 10' ' ' GLU . 3.2 p -146.93 109.99 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.405 179.893 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.56 ' N ' ' O ' ' A' ' 28' ' ' THR . 2.3 t70 -79.42 157.75 27.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 109.309 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 36.7 t60 -40.17 -29.2 0.07 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.121 . . . . 0.0 109.558 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.658 ' C ' ' H ' ' A' ' 27' ' ' ARG . 0.6 OUTLIER -130.01 157.75 41.48 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 0.0 109.274 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 47.7 m -54.95 0.85 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.551 1.157 . . . . 0.0 110.46 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.658 ' H ' ' C ' ' A' ' 25' ' ' ASN . 2.8 mtp180 -55.47 -40.23 71.39 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.499 1.124 . . . . 0.0 110.398 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.56 ' O ' ' N ' ' A' ' 23' ' ' ASP . 0.9 OUTLIER -139.08 99.71 3.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.568 1.167 . . . . 0.0 110.382 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.485 ' HA ' ' O ' ' A' ' 21' ' ' PHE . 42.1 p -137.53 108.43 6.7 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.131 . . . . 0.0 110.404 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.64 ' N ' ' O ' ' A' ' 21' ' ' PHE . 0.9 OUTLIER -94.22 122.68 37.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.102 . . . . 0.0 110.356 -179.948 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.451 ' CG ' ' O ' ' A' ' 31' ' ' PHE . 32.0 p90 -117.55 120.09 37.0 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.511 1.132 . . . . 0.0 111.067 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.468 ' CB ' ' O ' ' A' ' 18' ' ' VAL . 0.1 OUTLIER -106.16 164.77 11.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 109.295 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.422 ' O ' HG13 ' A' ' 18' ' ' VAL . 0.5 OUTLIER -45.71 142.91 3.34 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.123 . . . . 0.0 109.369 179.966 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.89 55.25 3.83 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.468 1.773 . . . . 0.0 111.027 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.56 ' HB2' HG21 ' A' ' 18' ' ' VAL . 0.0 OUTLIER -69.44 -23.33 63.67 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.461 1.101 . . . . 0.0 110.292 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . 0.904 ' CB ' HG21 ' A' ' 14' ' ' THR . 9.2 p30 -60.34 -15.27 24.0 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.52 1.137 . . . . 0.0 109.345 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.486 ' O ' ' C ' ' A' ' 38' ' ' LYS . . . -82.1 39.6 2.62 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.45 1.094 . . . . 0.0 110.973 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.486 ' C ' ' O ' ' A' ' 37' ' ' GLY . 0.0 OUTLIER -34.03 124.14 0.47 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.421 0.718 . . . . 0.0 109.375 179.948 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.575 1.172 . . . . 0.0 110.032 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . 0.525 ' HA ' HG21 ' A' ' 11' ' ' ILE . 30.1 p-10 . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.448 ' CG ' ' N ' ' A' ' 3' ' ' GLU . 14.2 pt-20 -101.09 -50.81 3.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 110.321 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.546 ' HB3' ' CD ' ' A' ' 6' ' ' PRO . 0.0 OUTLIER -91.7 142.1 26.36 Favored Pre-proline 0 C--N 1.323 -0.551 0 O-C-N 124.572 1.17 . . . . 0.0 110.32 179.937 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.427 ' O ' ' C ' ' A' ' 5' ' ' LEU . 18.0 Cg_endo -75.0 54.88 3.78 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.461 1.769 . . . . 0.0 110.941 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.608 ' N ' ' HD3' ' A' ' 6' ' ' PRO . 0.2 OUTLIER 38.63 53.97 4.31 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.48 1.113 . . . . 0.0 109.278 179.973 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.608 ' HD3' ' N ' ' A' ' 5' ' ' LEU . 18.2 Cg_endo -74.96 -160.69 0.11 Allowed 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.519 1.8 . . . . 0.0 111.004 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.493 ' CG ' ' N ' ' A' ' 8' ' ' GLY . 13.6 pt-20 -81.07 -47.4 13.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 110.376 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.493 ' N ' ' CG ' ' A' ' 7' ' ' GLU . . . -43.83 -63.56 2.21 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.494 1.121 . . . . 0.0 110.981 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . 0.452 ' CE3' ' C ' ' A' ' 8' ' ' GLY . 0.0 OUTLIER -136.1 160.21 39.35 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 107.937 -1.135 . . . . 0.0 107.937 -179.92 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -121.17 126.24 49.19 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.534 1.146 . . . . 0.0 110.28 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.592 HG23 ' HD1' ' A' ' 21' ' ' PHE . 2.7 mp -121.16 128.07 75.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 109.276 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.581 ' HB2' ' CE2' ' A' ' 20' ' ' TYR . 0.0 OUTLIER -138.44 140.92 39.48 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.522 1.139 . . . . 0.0 110.299 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.502 ' HB3' ' CB ' ' A' ' 19' ' ' ARG . 17.9 p90 -128.96 161.59 29.56 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.542 1.151 . . . . 0.0 111.003 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.734 HG21 ' HB3' ' A' ' 36' ' ' ASN . 0.3 OUTLIER -141.34 -43.49 0.37 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 110.463 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.459 ' CB ' ' HB ' ' A' ' 18' ' ' VAL . 0.0 OUTLIER -95.49 -179.59 4.81 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.449 1.093 . . . . 0.0 110.28 179.971 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -39.36 -62.19 0.7 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.569 1.168 . . . . 0.0 110.275 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.425 ' HA3' ' NH2' ' A' ' 19' ' ' ARG . . . -136.06 43.47 1.24 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.526 1.141 . . . . 0.0 111.063 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.479 ' O ' ' CG1' ' A' ' 18' ' ' VAL . 0.9 OUTLIER -88.52 -2.56 9.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.569 0.805 . . . . 0.0 109.279 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.502 ' CB ' ' HB3' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -36.01 125.48 0.74 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 110.305 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.659 ' HA ' HG22 ' A' ' 30' ' ' THR . 0.8 OUTLIER -116.8 163.4 16.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 111.021 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.688 ' O ' ' N ' ' A' ' 30' ' ' THR . 1.2 m-85 -131.24 142.65 50.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 110.969 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.483 HG23 ' CD1' ' A' ' 20' ' ' TYR . 65.6 t -145.24 102.61 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 0.0 109.293 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.513 ' N ' ' O ' ' A' ' 28' ' ' THR . 0.5 OUTLIER -75.35 152.2 38.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.446 1.092 . . . . 0.0 109.296 179.949 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 11.9 t60 -40.81 -27.35 0.05 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.442 1.088 . . . . 0.0 109.541 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.659 ' C ' ' H ' ' A' ' 27' ' ' ARG . 0.7 OUTLIER -128.6 159.35 35.83 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 109.307 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.6 t -54.78 1.72 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 110.401 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.659 ' H ' ' C ' ' A' ' 25' ' ' ASN . 1.5 mtt180 -53.66 -43.69 69.03 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.493 1.121 . . . . 0.0 110.28 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.546 HG22 ' O ' ' A' ' 28' ' ' THR . 0.8 OUTLIER -141.07 99.95 3.71 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.456 1.098 . . . . 0.0 110.434 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.532 ' O ' HG23 ' A' ' 29' ' ' THR . 6.6 t -133.22 103.28 5.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 110.354 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.688 ' N ' ' O ' ' A' ' 21' ' ' PHE . 0.9 OUTLIER -94.53 125.83 39.43 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 110.408 179.952 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 36.2 p90 -114.72 120.22 39.34 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.494 1.121 . . . . 0.0 110.942 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.433 ' HB2' ' O ' ' A' ' 18' ' ' VAL . 7.5 mmtt -107.5 164.39 12.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.451 1.094 . . . . 0.0 109.324 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.421 ' CB ' ' HD2' ' A' ' 35' ' ' ARG . 18.7 m-20 -47.15 145.19 3.67 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 109.238 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 52.13 2.98 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.563 1.822 . . . . 0.0 110.994 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.43 ' HB2' HG21 ' A' ' 18' ' ' VAL . 0.6 OUTLIER -71.15 -24.55 62.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.444 1.09 . . . . 0.0 110.31 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . 0.734 ' HB3' HG21 ' A' ' 14' ' ' THR . 3.0 p-10 -60.6 -15.47 28.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 0.0 109.265 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.488 ' O ' ' C ' ' A' ' 38' ' ' LYS . . . -81.69 40.2 2.6 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.492 1.12 . . . . 0.0 110.955 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.488 ' C ' ' O ' ' A' ' 37' ' ' GLY . 6.6 mtmt -34.13 123.5 0.49 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 0.764 . . . . 0.0 109.305 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.403 1.064 . . . . 0.0 109.977 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . 0.419 ' HB3' HG21 ' A' ' 11' ' ' ILE . 19.6 t30 . . . . . 0 N--CA 1.452 -0.354 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -99.05 -78.19 0.5 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.473 1.108 . . . . 0.0 110.297 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.533 ' HB3' ' CD ' ' A' ' 6' ' ' PRO . 0.3 OUTLIER -72.88 144.96 86.07 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 0.0 110.282 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.426 ' O ' ' C ' ' A' ' 5' ' ' LEU . 18.0 Cg_endo -75.03 55.19 3.89 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.58 1.831 . . . . 0.0 110.949 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.607 HD11 ' O ' ' A' ' 11' ' ' ILE . 5.7 mp 37.69 54.68 3.75 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.415 1.072 . . . . 0.0 109.276 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.601 ' HD3' ' N ' ' A' ' 5' ' ' LEU . 18.5 Cg_endo -74.97 -161.28 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.446 1.761 . . . . 0.0 111.039 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.45 ' CG ' ' N ' ' A' ' 8' ' ' GLY . 12.8 pt-20 -83.95 -50.84 7.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 0.0 110.289 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.45 ' N ' ' CG ' ' A' ' 7' ' ' GLU . . . -48.41 -69.67 0.92 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.492 1.12 . . . . 0.0 111.08 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . 0.602 ' CD1' ' OD1' ' A' ' 23' ' ' ASP . 39.1 m0 -115.18 161.04 18.96 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -138.6 120.65 15.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 110.363 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.712 HG23 ' HD1' ' A' ' 21' ' ' PHE . 6.6 mt -120.37 121.66 66.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.473 1.108 . . . . 0.0 109.351 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.411 ' HB3' ' CE1' ' A' ' 20' ' ' TYR . 0.3 OUTLIER -118.47 140.0 50.55 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.504 1.128 . . . . 0.0 110.271 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.612 ' CD1' ' N ' ' A' ' 13' ' ' TYR . 0.3 OUTLIER -120.34 154.03 35.62 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.508 1.13 . . . . 0.0 111.027 179.954 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 1.055 HG21 ' CB ' ' A' ' 36' ' ' ASN . 0.0 OUTLIER -141.08 -63.95 0.46 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.473 1.108 . . . . 0.0 110.406 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.671 ' H ' HG23 ' A' ' 14' ' ' THR . 0.4 OUTLIER -95.53 -179.94 4.93 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.503 1.127 . . . . 0.0 110.302 -179.956 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.439 ' C ' ' O ' ' A' ' 15' ' ' ARG . 1.4 pp20? -35.76 -55.07 0.72 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.508 1.13 . . . . 0.0 110.33 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -146.12 36.43 1.3 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.49 1.118 . . . . 0.0 111.052 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.654 HG21 ' HB3' ' A' ' 35' ' ' ARG . 4.3 t -89.54 -5.83 10.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.521 0.777 . . . . 0.0 109.282 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.589 ' CB ' ' HA ' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -47.58 163.1 0.05 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.572 1.17 . . . . 0.0 110.323 -179.956 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.614 ' HA ' HG22 ' A' ' 30' ' ' THR . 0.1 OUTLIER -145.17 167.66 22.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.44 1.088 . . . . 0.0 111.053 -179.971 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.712 ' HD1' HG23 ' A' ' 11' ' ' ILE . 0.8 OUTLIER -126.26 147.7 49.64 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.396 1.06 . . . . 0.0 111.024 -179.954 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 92.0 t -145.98 107.51 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.448 1.092 . . . . 0.0 109.291 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.602 ' OD1' ' CD1' ' A' ' 9' ' ' TRP . 1.8 t70 -74.96 157.22 35.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.11 . . . . 0.0 109.323 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.408 ' C ' ' O ' ' A' ' 23' ' ' ASP . 13.3 t-160 -39.27 -29.5 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.556 1.16 . . . . 0.0 109.555 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.669 ' C ' ' H ' ' A' ' 27' ' ' ARG . 1.0 OUTLIER -129.91 157.7 41.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 0.0 109.313 -179.92 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.44 ' HA ' ' CG2' ' A' ' 29' ' ' THR . 15.0 t -54.7 0.92 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.494 1.121 . . . . 0.0 110.443 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.669 ' H ' ' C ' ' A' ' 25' ' ' ASN . 0.7 OUTLIER -55.4 -39.92 70.77 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.553 1.158 . . . . 0.0 110.319 179.966 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.528 ' O ' ' N ' ' A' ' 23' ' ' ASP . 1.1 m -139.01 100.79 4.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 110.394 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.495 ' HA ' ' O ' ' A' ' 21' ' ' PHE . 66.2 p -136.38 109.8 7.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 0.0 110.434 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.625 ' N ' ' O ' ' A' ' 21' ' ' PHE . 0.9 OUTLIER -94.51 124.44 38.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 110.384 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -116.99 128.02 54.77 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.558 1.161 . . . . 0.0 110.992 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.511 ' CB ' ' O ' ' A' ' 18' ' ' VAL . 0.1 OUTLIER -106.16 165.16 11.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 109.255 -179.94 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -46.0 165.66 0.18 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.285 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -74.87 5.37 3.96 Favored 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.451 1.764 . . . . 0.0 111.055 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.654 ' HB3' HG21 ' A' ' 18' ' ' VAL . 0.0 OUTLIER -51.53 -24.97 5.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.544 1.152 . . . . 0.0 110.323 -179.967 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . 1.055 ' CB ' HG21 ' A' ' 14' ' ' THR . 2.2 p-10 -63.81 -13.74 47.0 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.443 1.089 . . . . 0.0 109.304 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.489 ' O ' ' C ' ' A' ' 38' ' ' LYS . . . -83.0 40.09 2.79 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.475 1.11 . . . . 0.0 110.984 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.489 ' C ' ' O ' ' A' ' 37' ' ' GLY . 0.0 OUTLIER -33.72 141.64 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.548 0.793 . . . . 0.0 109.329 -179.972 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 109.95 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . 0.484 ' HA ' HG21 ' A' ' 11' ' ' ILE . 10.5 p-10 . . . . . 0 N--CA 1.452 -0.362 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.457 ' CG ' ' N ' ' A' ' 3' ' ' GLU . 15.9 pt-20 -82.75 -49.53 9.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.13 . . . . 0.0 110.316 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.532 ' HB3' ' CD ' ' A' ' 6' ' ' PRO . 0.1 OUTLIER -90.19 146.86 35.68 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 110.298 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.433 ' O ' ' C ' ' A' ' 5' ' ' LEU . 18.3 Cg_endo -74.99 54.33 3.6 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.51 1.795 . . . . 0.0 110.998 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.607 ' N ' ' HD3' ' A' ' 6' ' ' PRO . 7.3 mp 37.34 54.62 3.39 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.411 1.069 . . . . 0.0 109.33 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.607 ' HD3' ' N ' ' A' ' 5' ' ' LEU . 18.3 Cg_endo -75.04 -161.28 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.502 1.79 . . . . 0.0 110.927 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.437 ' CG ' ' N ' ' A' ' 8' ' ' GLY . 11.7 pt-20 -83.63 -46.21 12.61 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.505 1.128 . . . . 0.0 110.309 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.437 ' N ' ' CG ' ' A' ' 7' ' ' GLU . . . -50.58 -62.84 4.88 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.53 1.144 . . . . 0.0 111.016 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . 0.448 ' NE1' ' OD2' ' A' ' 23' ' ' ASP . 8.7 m-90 -123.6 160.54 26.86 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.019 -1.104 . . . . 0.0 108.019 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.413 ' O ' ' N ' ' A' ' 22' ' ' VAL . 0.9 OUTLIER -139.62 120.99 14.98 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 110.327 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.708 HG23 ' HD1' ' A' ' 21' ' ' PHE . 5.6 mt -120.1 121.63 66.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.104 . . . . 0.0 109.28 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.433 ' HB2' ' CE1' ' A' ' 20' ' ' TYR . 15.6 mmm180 -115.54 134.33 55.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.527 1.142 . . . . 0.0 110.327 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.532 ' HA ' ' HA ' ' A' ' 19' ' ' ARG . 6.7 p90 -114.5 150.47 34.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.422 1.076 . . . . 0.0 111.038 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.56 HG21 ' CA ' ' A' ' 36' ' ' ASN . 7.5 m -140.04 -89.49 0.18 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 110.417 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.479 ' CD ' ' O ' ' A' ' 35' ' ' ARG . 0.0 OUTLIER -69.55 -178.79 1.52 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.503 1.127 . . . . 0.0 110.297 179.942 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.474 ' C ' ' O ' ' A' ' 15' ' ' ARG . 3.0 pt-20 -32.74 -61.14 0.29 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.575 1.172 . . . . 0.0 110.299 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -144.36 41.41 1.1 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.453 1.096 . . . . 0.0 111.05 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.813 HG21 ' CB ' ' A' ' 35' ' ' ARG . 0.5 OUTLIER -89.25 -6.15 10.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.553 0.796 . . . . 0.0 109.323 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.532 ' HA ' ' HA ' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -41.7 162.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 110.277 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.543 ' HA ' HG22 ' A' ' 30' ' ' THR . 0.1 OUTLIER -148.4 166.7 27.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.437 1.086 . . . . 0.0 111.027 179.958 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.708 ' HD1' HG23 ' A' ' 11' ' ' ILE . 0.8 OUTLIER -124.5 147.88 48.08 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.111 . . . . 0.0 111.022 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.413 ' N ' ' O ' ' A' ' 10' ' ' GLU . 71.6 t -146.69 106.81 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.13 . . . . 0.0 109.311 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.558 ' N ' ' O ' ' A' ' 28' ' ' THR . 3.5 t70 -74.83 156.86 36.02 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 0.0 109.301 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.402 ' C ' ' O ' ' A' ' 23' ' ' ASP . 51.8 t60 -39.61 -28.75 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.54 1.15 . . . . 0.0 109.583 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.665 ' C ' ' H ' ' A' ' 27' ' ' ARG . 0.4 OUTLIER -129.44 156.91 43.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.284 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 2.6 t -55.31 1.0 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 110.34 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.665 ' H ' ' C ' ' A' ' 25' ' ' ASN . 16.0 ptp180 -56.51 -39.36 73.18 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 110.358 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.558 ' O ' ' N ' ' A' ' 23' ' ' ASP . 0.9 OUTLIER -138.08 100.32 4.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.585 1.178 . . . . 0.0 110.393 179.958 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.496 ' HA ' ' O ' ' A' ' 21' ' ' PHE . 1.0 OUTLIER -137.12 108.98 7.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.569 1.168 . . . . 0.0 110.405 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.624 ' N ' ' O ' ' A' ' 21' ' ' PHE . 0.9 OUTLIER -94.52 123.38 37.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.439 1.087 . . . . 0.0 110.383 -179.953 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 34.8 p90 -118.05 129.95 55.87 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.122 . . . . 0.0 111.07 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.424 ' CB ' ' O ' ' A' ' 18' ' ' VAL . 0.0 OUTLIER -106.18 164.51 11.94 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.502 1.126 . . . . 0.0 109.315 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.516 ' C ' ' H ' ' A' ' 35' ' ' ARG . 4.7 m-20 -46.03 164.12 0.21 Allowed Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 109.299 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 30.07 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.484 1.781 . . . . 0.0 111.03 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.813 ' CB ' HG21 ' A' ' 18' ' ' VAL . 0.0 OUTLIER -70.0 -28.93 65.91 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 110.268 -179.967 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . 0.56 ' CA ' HG21 ' A' ' 14' ' ' THR . 3.0 p-10 -60.96 -15.08 27.34 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.576 1.173 . . . . 0.0 109.317 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.485 ' O ' ' C ' ' A' ' 38' ' ' LYS . . . -81.83 39.82 2.59 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.53 1.144 . . . . 0.0 110.966 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.485 ' C ' ' O ' ' A' ' 37' ' ' GLY . 15.4 mtmt -34.09 120.43 0.44 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.583 0.813 . . . . 0.0 109.342 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 8.3 t . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.113 . . . . 0.0 109.941 -179.958 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . 0.662 ' HA ' HG21 ' A' ' 11' ' ' ILE . 1.2 t30 . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.443 ' CG ' ' N ' ' A' ' 3' ' ' GLU . 15.6 pt-20 -76.35 -51.8 11.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 110.338 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.443 ' N ' ' CG ' ' A' ' 2' ' ' GLU . 0.5 OUTLIER -94.87 139.33 22.12 Favored Pre-proline 0 C--N 1.326 -0.424 0 O-C-N 124.551 1.157 . . . . 0.0 110.262 -179.952 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.472 ' O ' ' C ' ' A' ' 5' ' ' LEU . 18.2 Cg_endo -75.07 49.19 2.21 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.56 1.821 . . . . 0.0 111.009 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.627 HD22 ' O ' ' A' ' 11' ' ' ILE . 0.2 OUTLIER 34.77 58.07 2.26 Favored Pre-proline 0 C--N 1.326 -0.433 0 O-C-N 124.442 1.089 . . . . 0.0 109.32 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.542 ' HD3' ' N ' ' A' ' 5' ' ' LEU . 18.4 Cg_endo -74.96 -99.93 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.495 1.787 . . . . 0.0 111.011 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.44 ' CG ' ' N ' ' A' ' 8' ' ' GLY . 10.7 pt-20 -127.13 -54.69 1.38 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.134 . . . . 0.0 110.313 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.44 ' N ' ' CG ' ' A' ' 7' ' ' GLU . . . -37.78 -66.34 0.58 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.5 1.125 . . . . 0.0 111.059 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . 0.596 ' CD1' ' CG ' ' A' ' 23' ' ' ASP . 0.0 OUTLIER -137.46 159.08 42.96 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 107.965 -1.124 . . . . 0.0 107.965 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.445 ' HG3' ' CB ' ' A' ' 5' ' ' LEU . 0.0 OUTLIER -117.22 125.12 50.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.45 1.094 . . . . 0.0 110.305 179.968 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.678 HG23 ' HD1' ' A' ' 21' ' ' PHE . 3.7 mt -120.43 121.45 65.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.543 1.152 . . . . 0.0 109.28 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.442 ' HB3' ' CE1' ' A' ' 20' ' ' TYR . 13.3 tpp180 -115.94 139.03 50.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.442 1.089 . . . . 0.0 110.355 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.659 ' CD1' ' N ' ' A' ' 13' ' ' TYR . 0.1 OUTLIER -121.13 152.91 38.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.409 1.068 . . . . 0.0 110.986 -179.944 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.749 HG21 ' HB3' ' A' ' 36' ' ' ASN . 0.0 OUTLIER -140.58 -66.53 0.43 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.138 . . . . 0.0 110.389 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.711 ' H ' HG23 ' A' ' 14' ' ' THR . 0.8 OUTLIER -92.77 179.3 5.52 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.429 1.08 . . . . 0.0 110.353 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.459 ' C ' ' O ' ' A' ' 15' ' ' ARG . 33.4 tp10 -34.18 -57.59 0.48 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.468 1.105 . . . . 0.0 110.245 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -144.29 36.45 1.47 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.519 1.137 . . . . 0.0 110.999 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.795 HG21 ' CB ' ' A' ' 35' ' ' ARG . 14.3 t -89.34 -4.43 10.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.437 0.728 . . . . 0.0 109.336 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.57 ' CB ' ' HA ' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -48.58 166.66 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 110.319 179.957 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.565 ' HA ' HG22 ' A' ' 30' ' ' THR . 0.1 OUTLIER -147.2 167.21 24.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.425 1.078 . . . . 0.0 111.051 179.973 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.678 ' HD1' HG23 ' A' ' 11' ' ' ILE . 0.6 OUTLIER -127.5 146.94 50.33 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.575 1.172 . . . . 0.0 110.998 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.414 ' O ' HG13 ' A' ' 22' ' ' VAL . 7.6 p -145.68 109.75 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 109.362 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.596 ' CG ' ' CD1' ' A' ' 9' ' ' TRP . 0.1 OUTLIER -79.4 155.18 28.49 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.485 1.116 . . . . 0.0 109.276 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.401 ' C ' ' O ' ' A' ' 23' ' ' ASP . 7.9 t-160 -39.81 -28.7 0.05 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.441 1.088 . . . . 0.0 109.549 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.673 ' C ' ' H ' ' A' ' 27' ' ' ARG . 2.5 m-20 -129.28 158.17 39.82 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.523 1.14 . . . . 0.0 109.259 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 8.2 t -54.59 1.32 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.451 1.094 . . . . 0.0 110.437 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.673 ' H ' ' C ' ' A' ' 25' ' ' ASN . 3.0 mtp180 -54.95 -42.58 72.49 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.449 1.093 . . . . 0.0 110.295 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.567 ' O ' ' N ' ' A' ' 23' ' ' ASP . 0.8 OUTLIER -137.71 100.67 4.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 110.359 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.446 ' HA ' ' O ' ' A' ' 21' ' ' PHE . 8.9 m -135.18 104.41 5.89 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.475 1.11 . . . . 0.0 110.438 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.644 ' N ' ' O ' ' A' ' 21' ' ' PHE . 1.0 OUTLIER -94.12 122.99 37.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.141 . . . . 0.0 110.427 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -117.5 120.55 38.45 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.488 1.117 . . . . 0.0 110.982 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.454 ' HB2' ' O ' ' A' ' 18' ' ' VAL . 8.3 mmmt -105.78 163.78 12.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.312 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.519 ' O ' HG13 ' A' ' 18' ' ' VAL . 0.8 OUTLIER -46.94 147.2 2.37 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.604 1.19 . . . . 0.0 109.318 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 52.38 3.03 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.436 1.756 . . . . 0.0 110.983 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.795 ' CB ' HG21 ' A' ' 18' ' ' VAL . 0.0 OUTLIER -70.73 -25.32 62.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 110.335 179.933 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . 0.749 ' HB3' HG21 ' A' ' 14' ' ' THR . 7.1 p-10 -64.64 -11.21 32.97 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.463 1.102 . . . . 0.0 109.305 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.491 ' O ' ' C ' ' A' ' 38' ' ' LYS . . . -82.54 36.86 2.61 Favored Glycine 0 CA--C 1.531 1.072 0 O-C-N 124.471 1.107 . . . . 0.0 110.953 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.491 ' C ' ' O ' ' A' ' 37' ' ' GLY . 0.3 OUTLIER -33.97 119.42 0.4 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 0.753 . . . . 0.0 109.316 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 4.5 m . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.57 1.169 . . . . 0.0 110.019 179.984 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . 0.783 ' HA ' HG21 ' A' ' 11' ' ' ILE . 13.4 p-10 . . . . . 0 N--CA 1.452 -0.344 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.491 ' HG2' HD13 ' A' ' 11' ' ' ILE . 12.6 pt-20 -82.15 -50.19 9.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.409 1.068 . . . . 0.0 110.324 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.507 ' HB3' ' CD ' ' A' ' 6' ' ' PRO . 0.1 OUTLIER -91.55 148.18 36.86 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 110.308 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.464 ' O ' ' C ' ' A' ' 5' ' ' LEU . 18.2 Cg_endo -75.01 55.01 3.82 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.511 1.795 . . . . 0.0 110.976 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.665 HD11 ' O ' ' A' ' 11' ' ' ILE . 8.6 mp 36.0 55.87 2.76 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 109.279 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.583 ' HD3' ' N ' ' A' ' 5' ' ' LEU . 18.4 Cg_endo -74.97 -162.02 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.413 1.744 . . . . 0.0 111.0 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.422 ' HG3' ' N ' ' A' ' 8' ' ' GLY . 12.5 pt-20 -84.11 -45.96 12.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 110.29 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.422 ' N ' ' HG3' ' A' ' 7' ' ' GLU . . . -55.74 -66.94 2.48 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.496 1.123 . . . . 0.0 110.968 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . 0.766 ' CZ3' HG21 ' A' ' 28' ' ' THR . 16.7 m0 -109.24 159.07 17.24 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 108.048 -1.093 . . . . 0.0 108.048 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -142.32 120.25 12.02 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.443 1.089 . . . . 0.0 110.315 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.783 HG21 ' HA ' ' A' ' 1' ' ' ASN . 5.3 mt -120.61 121.79 66.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 109.278 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.61 ' HB2' ' CE2' ' A' ' 20' ' ' TYR . 19.6 mmt180 -117.5 132.57 56.52 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 110.311 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.531 ' HA ' ' HA ' ' A' ' 19' ' ' ARG . 9.6 p90 -115.1 148.03 39.46 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 110.977 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.543 HG21 ' HA ' ' A' ' 36' ' ' ASN . 5.6 m -139.69 -95.16 0.16 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.14 . . . . 0.0 110.356 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.487 ' O ' ' C ' ' A' ' 16' ' ' GLU . 0.0 OUTLIER -58.7 -179.5 0.06 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.482 1.114 . . . . 0.0 110.291 -179.953 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.487 ' C ' ' O ' ' A' ' 15' ' ' ARG . 34.7 tt0 -32.09 -61.01 0.26 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.13 . . . . 0.0 110.293 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -148.43 42.31 0.85 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.439 1.087 . . . . 0.0 111.019 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.524 ' O ' ' CB ' ' A' ' 32' ' ' LYS . 0.3 OUTLIER -88.98 -4.54 10.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 O-C-N 124.462 0.742 . . . . 0.0 109.32 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.531 ' HA ' ' HA ' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -38.5 158.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 110.27 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.61 ' CE2' ' HB2' ' A' ' 12' ' ' ARG . 1.5 p90 -142.99 162.05 36.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.113 . . . . 0.0 110.978 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.748 ' HD1' HG23 ' A' ' 11' ' ' ILE . 0.6 OUTLIER -127.39 143.65 51.18 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.508 1.13 . . . . 0.0 110.974 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.478 HG22 HG23 ' A' ' 29' ' ' THR . 63.9 t -145.44 107.0 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.533 1.145 . . . . 0.0 109.309 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.606 ' OD1' ' CD1' ' A' ' 9' ' ' TRP . 58.5 t0 -77.57 153.29 33.44 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.555 1.159 . . . . 0.0 109.297 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.465 ' N ' ' OD1' ' A' ' 23' ' ' ASP . 72.8 t60 -39.79 -28.21 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.155 . . . . 0.0 109.649 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.662 ' C ' ' H ' ' A' ' 27' ' ' ARG . 4.0 m-20 -128.94 158.88 37.58 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.571 1.17 . . . . 0.0 109.241 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 5.2 t -55.0 1.65 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 110.347 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.662 ' H ' ' C ' ' A' ' 25' ' ' ASN . 0.0 OUTLIER -54.43 -42.97 71.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 110.309 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.766 HG21 ' CZ3' ' A' ' 9' ' ' TRP . 0.8 OUTLIER -139.23 100.51 4.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 0.0 110.384 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.478 HG23 HG22 ' A' ' 22' ' ' VAL . 16.9 m -134.53 105.4 6.51 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.464 1.103 . . . . 0.0 110.436 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.651 ' N ' ' O ' ' A' ' 21' ' ' PHE . 0.9 OUTLIER -93.0 127.02 38.37 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.507 1.129 . . . . 0.0 110.394 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -116.16 118.89 34.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.115 . . . . 0.0 110.968 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.524 ' CB ' ' O ' ' A' ' 18' ' ' VAL . 0.0 OUTLIER -107.31 164.71 11.95 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.484 1.115 . . . . 0.0 109.229 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -46.92 160.69 0.32 Allowed Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.549 1.156 . . . . 0.0 109.314 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 7.24 2.97 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.463 1.77 . . . . 0.0 110.97 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.89 -22.92 4.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 110.276 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . 0.543 ' HA ' HG21 ' A' ' 14' ' ' THR . 3.3 p30 -66.71 -9.74 39.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.449 1.093 . . . . 0.0 109.33 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.478 ' O ' ' C ' ' A' ' 38' ' ' LYS . . . -83.18 35.89 2.76 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.544 1.152 . . . . 0.0 110.99 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.478 ' C ' ' O ' ' A' ' 37' ' ' GLY . 0.7 OUTLIER -33.95 100.76 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.511 0.771 . . . . 0.0 109.297 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.412 ' N ' ' O ' ' A' ' 37' ' ' GLY . 57.4 p . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.455 1.097 . . . . 0.0 109.995 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . 0.609 ' N ' ' CZ ' ' A' ' 13' ' ' TYR . 5.0 p30 . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 14.7 pt-20 -42.16 -49.18 4.9 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.546 1.154 . . . . 0.0 110.259 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.475 ' HB2' ' CD1' ' A' ' 11' ' ' ILE . 0.0 OUTLIER -103.67 156.2 35.89 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 110.311 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.63 ' O ' HD23 ' A' ' 5' ' ' LEU . 18.3 Cg_endo -75.06 -68.53 0.02 OUTLIER 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.498 1.788 . . . . 0.0 111.0 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.777 HD11 ' CG ' ' A' ' 10' ' ' GLU . 0.2 OUTLIER 172.64 -57.72 0.0 OUTLIER Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.491 1.119 . . . . 0.0 109.331 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.466 ' HD3' ' CB ' ' A' ' 5' ' ' LEU . 18.4 Cg_endo -74.96 53.69 3.4 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.479 1.779 . . . . 0.0 111.023 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.473 ' CG ' ' N ' ' A' ' 8' ' ' GLY . 0.0 OUTLIER -120.65 -66.13 1.08 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.446 1.091 . . . . 0.0 110.309 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.488 ' C ' ' CE3' ' A' ' 9' ' ' TRP . . . -167.49 -41.6 0.02 OUTLIER Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.477 1.111 . . . . 0.0 110.962 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . 0.55 ' CE3' ' OD2' ' A' ' 23' ' ' ASP . 0.0 OUTLIER -111.03 159.42 17.79 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 107.958 -1.127 . . . . 0.0 107.958 -179.945 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.777 ' CG ' HD11 ' A' ' 5' ' ' LEU . 0.4 OUTLIER -107.02 122.02 45.63 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.541 1.151 . . . . 0.0 110.336 179.929 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.947 HG23 ' CD1' ' A' ' 21' ' ' PHE . 19.6 mt -119.9 135.12 61.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.402 1.063 . . . . 0.0 109.326 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.583 ' HB3' ' CE2' ' A' ' 20' ' ' TYR . 5.2 tpt180 -138.1 123.01 18.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 110.294 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.609 ' CZ ' ' N ' ' A' ' 1' ' ' ASN . 3.2 m-85 -97.98 150.77 21.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.452 1.095 . . . . 0.0 110.978 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.498 ' OG1' ' N ' ' A' ' 15' ' ' ARG . 51.3 p -139.23 -103.71 0.17 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.107 . . . . 0.0 110.41 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.498 ' N ' ' OG1' ' A' ' 14' ' ' THR . 0.0 OUTLIER -61.85 -179.45 0.2 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 110.345 179.921 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.492 ' C ' ' O ' ' A' ' 15' ' ' ARG . 4.6 pt-20 -30.97 -59.98 0.21 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.551 1.157 . . . . 0.0 110.263 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -144.25 40.17 1.19 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.458 1.099 . . . . 0.0 110.995 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.833 HG21 ' HB2' ' A' ' 35' ' ' ARG . 2.8 t -89.42 -4.26 10.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.556 0.798 . . . . 0.0 109.34 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.576 ' HD3' ' CE1' ' A' ' 21' ' ' PHE . 4.0 ppt_? -36.91 159.48 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.607 1.192 . . . . 0.0 110.253 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.6 ' CD1' ' C ' ' A' ' 20' ' ' TYR . 0.4 OUTLIER -149.36 155.91 41.23 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.524 1.14 . . . . 0.0 110.988 -179.973 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.947 ' CD1' HG23 ' A' ' 11' ' ' ILE . 0.8 OUTLIER -128.95 148.19 50.91 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.502 1.126 . . . . 0.0 110.971 -179.937 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 94.8 t -146.84 105.55 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.587 1.18 . . . . 0.0 109.307 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.568 ' N ' ' O ' ' A' ' 28' ' ' THR . 6.5 t0 -75.28 154.6 37.33 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.606 1.192 . . . . 0.0 109.313 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 5.3 t-80 -40.19 -28.05 0.05 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 109.602 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.654 ' C ' ' H ' ' A' ' 27' ' ' ARG . 45.6 m-20 -129.02 157.94 40.29 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 0.0 109.281 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 8.9 t -55.35 1.6 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 110.393 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.654 ' H ' ' C ' ' A' ' 25' ' ' ASN . 2.7 ptm85 -54.99 -42.46 72.49 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.454 1.096 . . . . 0.0 110.28 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.568 ' O ' ' N ' ' A' ' 23' ' ' ASP . 0.8 OUTLIER -139.19 100.02 3.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 110.39 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.439 ' HA ' ' O ' ' A' ' 21' ' ' PHE . 0.0 OUTLIER -135.59 104.52 5.83 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 0.0 110.409 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.641 ' N ' ' O ' ' A' ' 21' ' ' PHE . 1.0 OUTLIER -94.15 123.37 37.49 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.117 . . . . 0.0 110.428 180.0 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.418 ' O ' ' CG ' ' A' ' 31' ' ' PHE . 34.5 p90 -118.93 119.72 35.15 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.552 1.158 . . . . 0.0 110.982 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.459 ' CB ' ' O ' ' A' ' 18' ' ' VAL . 0.0 OUTLIER -107.8 164.27 12.4 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.581 1.175 . . . . 0.0 109.299 179.975 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -47.0 146.26 2.86 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.555 1.159 . . . . 0.0 109.314 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 47.32 1.71 Allowed 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.473 1.775 . . . . 0.0 110.983 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.833 ' HB2' HG21 ' A' ' 18' ' ' VAL . 0.3 OUTLIER -70.99 -31.93 68.6 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.468 1.105 . . . . 0.0 110.308 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . 0.41 ' HB3' ' CB ' ' A' ' 14' ' ' THR . 8.3 p-10 -60.03 -14.37 16.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 109.333 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.485 ' O ' ' C ' ' A' ' 38' ' ' LYS . . . -81.92 38.89 2.54 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.416 1.073 . . . . 0.0 111.025 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.485 ' C ' ' O ' ' A' ' 37' ' ' GLY . 0.7 OUTLIER -33.95 136.79 0.11 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.527 0.781 . . . . 0.0 109.291 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 38.3 t . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.586 1.179 . . . . 0.0 110.014 179.954 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 10.5 p30 . . . . . 0 N--CA 1.454 -0.248 0 N-CA-C 109.281 -0.636 . . . . 0.0 109.281 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.441 ' CG ' ' N ' ' A' ' 3' ' ' GLU . 11.3 pt-20 -80.73 -51.59 8.49 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.523 1.14 . . . . 0.0 110.335 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.538 ' HB3' ' CD ' ' A' ' 6' ' ' PRO . 0.0 OUTLIER -93.6 142.67 25.45 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.456 1.097 . . . . 0.0 110.403 179.947 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.972 ' C ' HD22 ' A' ' 5' ' ' LEU . 18.2 Cg_endo -74.95 54.98 3.78 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.462 1.77 . . . . 0.0 111.003 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.989 HD12 ' O ' ' A' ' 11' ' ' ILE . 0.0 OUTLIER 37.75 54.21 3.62 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.358 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.61 ' HD3' ' N ' ' A' ' 5' ' ' LEU . 18.2 Cg_endo -75.04 -160.99 0.11 Allowed 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.475 1.776 . . . . 0.0 111.015 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.482 ' CG ' ' N ' ' A' ' 8' ' ' GLY . 9.3 pt-20 -81.37 -47.1 13.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 0.0 110.333 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.482 ' N ' ' CG ' ' A' ' 7' ' ' GLU . . . -45.0 -64.26 2.26 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.491 1.119 . . . . 0.0 110.946 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . 0.441 ' CD1' ' N ' ' A' ' 9' ' ' TRP . 0.0 OUTLIER -131.97 159.55 38.4 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.01 -1.107 . . . . 0.0 108.01 -179.986 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -124.42 125.53 44.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 110.27 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.989 ' O ' HD12 ' A' ' 5' ' ' LEU . 3.1 mt -121.44 123.99 70.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.444 1.09 . . . . 0.0 109.353 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.435 ' O ' ' N ' ' A' ' 20' ' ' TYR . 0.3 OUTLIER -117.6 139.18 51.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.451 1.095 . . . . 0.0 110.31 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.546 ' HA ' ' HA ' ' A' ' 19' ' ' ARG . 3.6 p90 -113.99 151.26 32.65 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.482 1.114 . . . . 0.0 110.997 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.738 HG21 ' OH ' ' A' ' 20' ' ' TYR . 11.2 p -139.86 -62.95 0.51 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 110.431 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.502 ' N ' ' OG1' ' A' ' 14' ' ' THR . 0.0 OUTLIER -98.2 179.49 4.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.146 . . . . 0.0 110.351 179.968 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.445 ' C ' ' O ' ' A' ' 15' ' ' ARG . 0.0 OUTLIER -34.98 -52.39 0.55 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 110.313 179.968 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -149.72 36.32 0.99 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.526 1.141 . . . . 0.0 110.966 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.699 HG21 ' CB ' ' A' ' 35' ' ' ARG . 4.7 t -89.51 -7.4 10.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.539 0.787 . . . . 0.0 109.292 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.546 ' HA ' ' HA ' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -39.31 154.76 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.515 1.134 . . . . 0.0 110.201 -179.949 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.738 ' OH ' HG21 ' A' ' 14' ' ' THR . 0.1 OUTLIER -130.18 167.41 18.44 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.545 1.153 . . . . 0.0 110.955 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.642 ' O ' ' N ' ' A' ' 30' ' ' THR . 1.3 m-85 -130.87 144.76 51.7 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.495 1.122 . . . . 0.0 111.002 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 91.9 t -146.51 108.58 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.458 1.099 . . . . 0.0 109.331 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.495 ' N ' ' O ' ' A' ' 28' ' ' THR . 3.8 t0 -74.77 159.05 32.48 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.568 1.168 . . . . 0.0 109.29 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.403 ' C ' ' O ' ' A' ' 23' ' ' ASP . 57.3 t60 -39.8 -29.48 0.06 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.476 1.11 . . . . 0.0 109.631 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.669 ' C ' ' H ' ' A' ' 27' ' ' ARG . 3.2 m120 -130.35 157.57 42.21 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.472 1.107 . . . . 0.0 109.247 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 8.8 t -54.91 1.12 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.56 1.162 . . . . 0.0 110.418 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.669 ' H ' ' C ' ' A' ' 25' ' ' ASN . 0.0 OUTLIER -55.51 -40.82 72.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 110.294 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.526 HG22 ' O ' ' A' ' 28' ' ' THR . 0.8 OUTLIER -137.57 100.75 4.3 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.503 1.127 . . . . 0.0 110.416 -179.967 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.506 ' HA ' ' O ' ' A' ' 21' ' ' PHE . 1.5 t -137.3 116.27 12.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 110.463 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.642 ' N ' ' O ' ' A' ' 21' ' ' PHE . 0.9 OUTLIER -95.68 125.41 40.24 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.456 1.098 . . . . 0.0 110.44 -179.929 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.475 ' O ' ' CD2' ' A' ' 31' ' ' PHE . 49.0 p90 -119.44 118.23 30.56 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.561 1.163 . . . . 0.0 111.064 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -108.22 162.48 14.04 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.436 1.085 . . . . 0.0 109.291 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -49.37 153.9 1.68 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 109.234 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.13 53.84 3.52 Favored 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.549 1.815 . . . . 0.0 111.005 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.699 ' CB ' HG21 ' A' ' 18' ' ' VAL . 8.9 mmt180 -70.05 -28.42 65.44 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.12 . . . . 0.0 110.334 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 23.3 p-10 -61.3 -14.93 30.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 109.313 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.481 ' O ' ' C ' ' A' ' 38' ' ' LYS . . . -81.84 39.88 2.6 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.394 1.059 . . . . 0.0 111.062 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.481 ' C ' ' O ' ' A' ' 37' ' ' GLY . 2.9 ptpt -34.1 123.96 0.48 Allowed 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.438 0.729 . . . . 0.0 109.275 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 8.1 t . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 0.0 109.994 179.958 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . 0.594 ' OD1' ' CD1' ' A' ' 13' ' ' TYR . 63.0 m-80 . . . . . 0 N--CA 1.452 -0.35 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -42.85 -77.96 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.545 1.153 . . . . 0.0 110.323 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.541 ' HB3' ' CD ' ' A' ' 6' ' ' PRO . 0.0 OUTLIER -85.25 141.38 37.11 Favored Pre-proline 0 C--N 1.326 -0.433 0 O-C-N 124.471 1.107 . . . . 0.0 110.3 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.418 ' O ' ' C ' ' A' ' 5' ' ' LEU . 18.2 Cg_endo -75.01 54.83 3.77 Favored 'Trans proline' 0 C--N 1.359 1.099 0 O-C-N 124.465 1.771 . . . . 0.0 110.983 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.615 ' N ' ' HD3' ' A' ' 6' ' ' PRO . 0.1 OUTLIER 38.68 53.98 4.35 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.403 1.064 . . . . 0.0 109.263 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.615 ' HD3' ' N ' ' A' ' 5' ' ' LEU . 18.4 Cg_endo -74.98 -161.11 0.11 Allowed 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.43 1.752 . . . . 0.0 110.967 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.504 ' CG ' ' N ' ' A' ' 8' ' ' GLY . 7.2 pt-20 -78.74 -47.5 16.71 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.52 1.137 . . . . 0.0 110.294 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.504 ' N ' ' CG ' ' A' ' 7' ' ' GLU . . . -43.72 -64.33 1.91 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.576 1.173 . . . . 0.0 110.992 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . 0.466 ' CD1' ' N ' ' A' ' 9' ' ' TRP . 0.0 OUTLIER -136.03 159.74 40.78 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.007 -1.108 . . . . 0.0 108.007 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.483 ' HB3' ' CG1' ' A' ' 22' ' ' VAL . 1.1 tt0 -119.55 120.51 36.96 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.507 1.13 . . . . 0.0 110.253 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.654 HG23 ' HD1' ' A' ' 21' ' ' PHE . 3.1 mt -120.67 131.04 73.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.512 1.133 . . . . 0.0 109.312 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.594 ' HB3' ' CE2' ' A' ' 20' ' ' TYR . 0.0 OUTLIER -137.14 121.89 18.66 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.502 1.126 . . . . 0.0 110.227 -179.95 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.594 ' CD1' ' OD1' ' A' ' 1' ' ' ASN . 3.5 m-30 -92.78 151.1 20.21 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.521 1.138 . . . . 0.0 110.98 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.797 HG21 ' HA ' ' A' ' 36' ' ' ASN . 94.9 m -137.83 -109.23 0.18 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 110.373 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.47 ' CB ' ' HB ' ' A' ' 18' ' ' VAL . 0.2 OUTLIER -57.01 179.71 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.527 1.142 . . . . 0.0 110.296 180.0 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.463 ' C ' ' O ' ' A' ' 15' ' ' ARG . 4.3 pt-20 -33.73 -57.05 0.45 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 110.254 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -142.16 39.05 1.41 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.491 1.12 . . . . 0.0 111.019 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.689 HG21 ' HB2' ' A' ' 35' ' ' ARG . 2.1 t -89.88 -4.9 10.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.466 0.745 . . . . 0.0 109.26 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.554 ' HA ' ' HA ' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -37.65 161.22 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 110.323 179.962 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.685 ' HA ' HG22 ' A' ' 30' ' ' THR . 2.1 p90 -152.62 164.62 37.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 110.981 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.654 ' HD1' HG23 ' A' ' 11' ' ' ILE . 1.0 OUTLIER -139.48 148.32 42.54 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.561 1.163 . . . . 0.0 111.047 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.483 ' CG1' ' HB3' ' A' ' 10' ' ' GLU . 7.5 p -145.41 112.42 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.243 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.522 ' N ' ' O ' ' A' ' 28' ' ' THR . 7.4 t0 -79.95 156.15 27.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.12 . . . . 0.0 109.301 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 13.3 t-160 -40.57 -28.4 0.07 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 109.601 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.668 ' C ' ' H ' ' A' ' 27' ' ' ARG . 12.0 m120 -129.61 157.93 40.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.135 . . . . 0.0 109.267 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 10.0 t -55.14 1.32 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.491 1.119 . . . . 0.0 110.454 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.668 ' H ' ' C ' ' A' ' 25' ' ' ASN . 9.5 ptm180 -55.33 -42.63 74.05 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.431 1.082 . . . . 0.0 110.344 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.527 HG22 ' O ' ' A' ' 28' ' ' THR . 0.8 OUTLIER -137.87 99.83 4.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.12 . . . . 0.0 110.381 179.964 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.503 ' O ' HG23 ' A' ' 29' ' ' THR . 12.7 t -137.27 111.15 8.22 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.546 1.154 . . . . 0.0 110.391 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.685 HG22 ' HA ' ' A' ' 20' ' ' TYR . 0.9 OUTLIER -93.81 125.86 38.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 110.412 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -115.24 122.99 47.69 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.432 1.082 . . . . 0.0 111.025 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.505 ' CB ' ' O ' ' A' ' 18' ' ' VAL . 0.0 OUTLIER -106.7 164.53 12.01 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.474 1.109 . . . . 0.0 109.254 -179.971 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -46.76 168.67 0.12 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 109.294 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.06 3.68 5.43 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.477 1.777 . . . . 0.0 110.972 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.689 ' HB2' HG21 ' A' ' 18' ' ' VAL . 0.0 OUTLIER -52.45 -32.65 40.53 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.51 1.131 . . . . 0.0 110.266 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . 0.797 ' HA ' HG21 ' A' ' 14' ' ' THR . 4.2 p-10 -60.71 -25.06 66.14 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.572 1.17 . . . . 0.0 109.341 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.477 ' O ' ' C ' ' A' ' 38' ' ' LYS . . . -79.29 45.86 2.9 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.47 1.106 . . . . 0.0 111.039 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.629 ' HE2' HG22 ' A' ' 14' ' ' THR . 0.3 OUTLIER -33.48 121.48 0.41 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.592 0.819 . . . . 0.0 109.313 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 47.0 t . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.462 1.101 . . . . 0.0 109.991 179.972 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . 0.706 ' HA ' HG21 ' A' ' 11' ' ' ILE . 3.5 t-20 . . . . . 0 N--CA 1.453 -0.325 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.452 ' CG ' ' N ' ' A' ' 3' ' ' GLU . 11.6 pt-20 -107.65 -52.11 2.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 110.274 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.543 ' H ' HD13 ' A' ' 11' ' ' ILE . 0.0 OUTLIER -88.96 171.73 8.61 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.539 1.149 . . . . 0.0 110.273 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.597 ' O ' HD13 ' A' ' 5' ' ' LEU . 18.4 Cg_endo -74.9 -74.31 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.485 1.781 . . . . 0.0 111.049 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.597 HD13 ' O ' ' A' ' 4' ' ' PRO . 1.2 tp 173.91 -57.8 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 109.284 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.462 ' HD3' ' CB ' ' A' ' 5' ' ' LEU . 18.1 Cg_endo -74.98 -9.47 20.82 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.529 1.804 . . . . 0.0 111.03 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -47.74 -66.07 0.46 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 110.372 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -164.93 -40.93 0.02 OUTLIER Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.518 1.136 . . . . 0.0 110.985 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . 0.408 ' HA ' ' HA ' ' A' ' 23' ' ' ASP . 0.0 OUTLIER -115.63 161.67 18.33 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 -179.961 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -105.35 126.63 52.32 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.555 1.159 . . . . 0.0 110.306 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.748 HG23 ' CD1' ' A' ' 21' ' ' PHE . 6.9 mt -120.33 122.06 67.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 0.0 109.264 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.599 ' HB2' ' CE2' ' A' ' 20' ' ' TYR . 7.0 mmm180 -120.2 140.12 51.62 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.452 1.095 . . . . 0.0 110.233 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.538 ' HA ' ' HA ' ' A' ' 19' ' ' ARG . 2.5 p90 -114.51 151.7 32.9 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.456 1.098 . . . . 0.0 111.032 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.839 HG21 ' CA ' ' A' ' 36' ' ' ASN . 2.2 m -138.5 -79.13 0.35 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 110.377 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.49 ' O ' ' C ' ' A' ' 16' ' ' GLU . 0.0 OUTLIER -83.89 -179.16 7.2 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.48 1.113 . . . . 0.0 110.347 179.966 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.49 ' C ' ' O ' ' A' ' 15' ' ' ARG . 11.5 tp10 -30.69 -59.48 0.2 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.409 1.068 . . . . 0.0 110.292 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -147.1 39.48 1.06 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.456 1.097 . . . . 0.0 111.023 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.864 HG21 ' HB2' ' A' ' 35' ' ' ARG . 0.5 OUTLIER -89.63 -4.73 10.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.506 0.768 . . . . 0.0 109.239 -179.953 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.538 ' HA ' ' HA ' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -38.07 157.86 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.456 1.098 . . . . 0.0 110.31 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.628 ' HA ' HG22 ' A' ' 30' ' ' THR . 1.3 p90 -139.26 161.57 37.1 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.539 1.149 . . . . 0.0 111.086 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.748 ' CD1' HG23 ' A' ' 11' ' ' ILE . 1.1 m-85 -127.64 143.81 51.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.411 1.07 . . . . 0.0 111.012 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.447 HG13 HG22 ' A' ' 29' ' ' THR . 94.2 t -145.48 107.03 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.533 1.146 . . . . 0.0 109.259 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.572 ' N ' ' O ' ' A' ' 28' ' ' THR . 10.1 t0 -78.45 153.45 31.45 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 0.0 109.367 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 15.4 t-160 -40.24 -28.2 0.06 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.611 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.657 ' C ' ' H ' ' A' ' 27' ' ' ARG . 24.7 m-80 -128.95 159.31 36.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.455 1.097 . . . . 0.0 109.279 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 13.6 t -54.78 1.52 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.47 1.106 . . . . 0.0 110.437 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.657 ' H ' ' C ' ' A' ' 25' ' ' ASN . 1.4 mtt180 -54.2 -43.64 70.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 110.273 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.576 HG22 ' O ' ' A' ' 28' ' ' THR . 0.7 OUTLIER -138.93 100.0 3.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.578 1.174 . . . . 0.0 110.396 179.928 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.447 HG22 HG13 ' A' ' 22' ' ' VAL . 6.2 p -134.28 104.43 6.16 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.467 1.104 . . . . 0.0 110.445 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.659 ' N ' ' O ' ' A' ' 21' ' ' PHE . 0.9 OUTLIER -93.42 126.55 38.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 110.39 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 20.6 t80 -116.53 119.02 34.26 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.581 1.176 . . . . 0.0 111.058 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.528 ' CB ' ' O ' ' A' ' 18' ' ' VAL . 0.0 OUTLIER -107.41 164.13 12.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.328 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -47.56 157.24 0.58 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.152 . . . . 0.0 109.268 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 53.05 3.21 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.503 1.791 . . . . 0.0 110.996 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.864 ' HB2' HG21 ' A' ' 18' ' ' VAL . 0.0 OUTLIER -70.12 -41.29 74.15 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.533 1.146 . . . . 0.0 110.344 179.951 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . 0.839 ' CA ' HG21 ' A' ' 14' ' ' THR . 14.8 p-10 -67.29 -9.15 37.98 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.481 1.113 . . . . 0.0 109.298 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.481 ' O ' ' C ' ' A' ' 38' ' ' LYS . . . -83.31 34.71 2.84 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.471 1.107 . . . . 0.0 110.979 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.481 ' C ' ' O ' ' A' ' 37' ' ' GLY . 0.0 OUTLIER -33.96 141.59 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 0.74 . . . . 0.0 109.308 179.951 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 74.8 p . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.54 1.15 . . . . 0.0 110.026 179.995 . . . . . . . . 0 0 . 1 stop_ save_